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User manual

2013/07/11
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The information in this manual is subject to changes without notice


and does not represent a commitment on the part of TDIF.

This manual is based on the release 2.3.3 of the Bacchus3 Analysis


application.

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Table of contents
Table of contents .............................................................................. 3
Proprietary notice ............................................................................. 7
Trademarks ....................................................................................... 7
Scope of the manual ......................................................................... 7
Intended audience ............................................................................. 7
Manual Layout and conventions ...................................................... 7
Legal manufacturer ........................................................................... 8
Customer service .............................................................................. 8
Europe........................................................................................... 8
Australia ....................................................................................... 9
Chapter 1. System overview.......................................................... 10
Overview ........................................................................................ 11
Intended use ................................................................................ 11
Applications ................................................................................ 11
System architecture .................................................................... 11
Analytical parameters ..................................................................... 11
Bacchus3 - IR ............................................................................. 11
Bacchus3 IR/UV ......................................................................... 12
Specifications ................................................................................. 12
Dimensions and weight .............................................................. 12
Electrical specifications .............................................................. 12
Environmental conditions ........................................................... 12
Chapter 2. System installation Security.................................... 13
Overview ........................................................................................ 14
Precautions / Hazards ..................................................................... 14
Warning ...................................................................................... 14
Electrical shocks ......................................................................... 15
Chemical hazard ......................................................................... 15
Radiation..................................................................................... 15
Labelling and quality control.......................................................... 15
Unpacking....................................................................................... 16
Location .......................................................................................... 16
Assembly ........................................................................................ 16
System fluids .................................................................................. 17
Connection to mains ....................................................................... 18
Bacchus3 / PC connection .............................................................. 18
UV/Vis spectrometer option ........................................................... 19
Chapter 3. Software installation ................................................... 21

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Overview ........................................................................................ 22
PC minimum configuration ............................................................ 23
iS5 FTIR spectrometer software and drivers .................................. 23
Bacchus3 application software ....................................................... 24
Automation unit drivers .................................................................. 24
Autosampler ................................................................................... 25
UV/Vis spectrometer ...................................................................... 25
Configuration file ........................................................................... 25
Configuration utility ....................................................................... 26
Configuration of the laboratory name ............................................ 26
Software update .............................................................................. 27
Uninstall procedure ........................................................................ 27
Chapter 4. Running the system .................................................... 29
Starting the application ................................................................... 30
Optical bench test ........................................................................... 31
Rinsing the fluid circuit .................................................................. 33
Circuit priming ............................................................................... 34
System shut down ........................................................................... 34
Decommissioning ........................................................................... 34
Chapter 5. Software configuration ............................................... 35
Access levels .................................................................................. 36
Administrator level ..................................................................... 36
Laboratory technician ................................................................. 36
Analyst ........................................................................................ 36
Account management ..................................................................... 36
Creating new entries ................................................................... 36
Reviewing and editing entries .................................................... 37
Deleting operator entries ............................................................ 37
Operator identification.................................................................... 37
Printer selection .............................................................................. 38
Active window................................................................................ 38
Tool bars ......................................................................................... 38
Chapter 6. Protocol definition ...................................................... 39
Protocol selection ........................................................................... 40
Adding a protocol ........................................................................... 41
Deleting a protocol ......................................................................... 41
Protocol colour ............................................................................... 42

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Protocol printout ............................................................................. 42


Spectra acquisition parameters ....................................................... 42
Result processing options ............................................................... 43
Sample handling parameters........................................................... 43
Calibrations..................................................................................... 44
Identification libraries ................................................................ 44
Quantification calibrations ......................................................... 45
Control samples .............................................................................. 47
Chapter 7. Analysis process .......................................................... 49
Worklist edition .............................................................................. 50
Defining batch records ............................................................... 51
Spectra folder.............................................................................. 51
Sample identification .................................................................. 52
Analysis cycle ................................................................................. 52
Spectra acquisition (with autosampler) ...................................... 53
Spectra acquisition (without sampler) ........................................ 53
Result display ............................................................................. 54
Interrupting the analysis cycle .................................................... 55
Processing urgent samples .......................................................... 55
Result printing ................................................................................ 56
Export of results ............................................................................. 56
TXT format ................................................................................. 56
MDB format ............................................................................... 57
Reanalysis function ........................................................................ 58
Result review .................................................................................. 59
Chapter 8. Calibration adjustment .............................................. 60
Selection of the adjustment set ....................................................... 61
Adjustment protocols...................................................................... 62
Spectra acquisition.......................................................................... 62
Entry of the reference values .......................................................... 63
Equation processing........................................................................ 64
Data review and validation ............................................................. 66
Enabling adjusted calibrations ........................................................ 66
Chapter 9. Control charts ............................................................. 68
Presentation .................................................................................... 69
Operation ........................................................................................ 69
Chapter 10. System standardisation ........................................ 72
Presentation .................................................................................... 73
Procedure ........................................................................................ 73

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Spectra acquisition...................................................................... 73
Reference spectrum .................................................................... 74
Standardization ........................................................................... 74
Disabling the standardization function ....................................... 75
Chapter 11. Controls and tests ................................................. 76
Fluid circuit unit testing.................................................................. 77
Carry-over....................................................................................... 78
Purpose ....................................................................................... 78
Procedure .................................................................................... 78
Repeatability ................................................................................... 79
Purpose ....................................................................................... 79
Procedure .................................................................................... 79
Cleaning and maintenance .............................................................. 80
Daily cleaning ............................................................................. 80
Weekly cleaning and checks ...................................................... 80
Monthly checks .......................................................................... 80
Quarterly checks ......................................................................... 81
Replacing defective parts ........................................................... 81
Preventive maintenance .............................................................. 81
Chapter 12. Spare parts and disposables ................................ 82

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Proprietary notice
This document discloses subject matter in which TDIF has proprietary
rights. Neither receipt nor possession of the document confers or
transfers any rights to copy or reproduce any information contained
therein without the express written consent of a duly authorized
representative of TDIF.

The software described in this manual is furnished under a licence


agreement, and may be used or copied only in accordance with the
terms of that agreement.

The user manual of Bacchus3 system in PDF format is the only


valid documentation.

Trademarks
Microsoft, Microsoft logo, Windows XP and Windows 7 are
trademarks of Microsoft Corporation.

Adobe, the Adobe logo, Acrobat Reader are trademarks of Adobe


Systems Incorporated.

Bacchus is a trademark of TDI S.L.

Scope of the manual


This manual includes information on Bacchus Analysis software
intended for oenological analysis. It describes all the necessary steps
to install and configure the software, to process samples and to print
or transfer reaction results. It presents each function of the software in
order to make software use easier and to guide malfunction
assessment. Moreover, it contains important information on the
equipment adjustment and handling.

Intended audience
This manual is designed for the personnel of oenology laboratories in
charge of the configuration and operation of Bacchus Analysis
software.

Manual Layout and conventions


The manual layout has been standardized to make reading easy and to
ensure a quick access to information. Notation conventions have been
used to provide additional information or to emphasize the need for
specific measures or precautions.

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Foot-notes
Additional information, document references, links to other sections
of the manual are presented in foot-notes in order to keep the body of
the text as clear and straightforward as possible.

The Please note icon is used to attract the attention of the operator
upon situations or conditions that are important for the configuration
or operation of the system. This icon, however, does not correspond to
a risk for the operator or the results.

The Caution icon is used to put high emphasis upon


situations or conditions that can include a risk for the operator
or jeopardize the reliability of the results. The person in charge of the
laboratory must ensure that all the paragraphs preceded by the
Caution icon have been read and clearly understood by the operators
involved with Bacchus Analysis software.

Legal manufacturer
TECNOLOGIA DIFUSION IBERICA (TDI)
Avda, Diagonal
08850 GAVA BARCELONA
Legal manufacturer
SPAIN
EC REP Phone : +34 936 382 056

Customer service
TDI distributes Bacchus systems on a world-wide exclusive basis.
Trained product specialists are ready to answer your questions. Please
contact your local TDI servicing agent.

Europe
France Axflow
87, rue des Poiriers, Ste Apolline
BP 72
78370 Plaisir
Tl : +33 (0)1 30 68 41 41
Web : www.axflow.fr

Czech Republic OENOGALA


Kobyl 61
691 10 Kobyl
Tel: +420 (724) 839 290
Web: www.oenogala.cz/

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Greece METRIVA
8A Plataion,
145 61 Kifisia
Tel: +30 210 6230747
Web: www.metriva.gr

Hungary LABOREXPORT KFT.


Ibrahim Str. 8.
PO Box 165
H-1507 Budapest
+(36) 1 209 6424 /25
Web: www.laborexport.hu/

Moldova LACO-ALFATEC S.R.L.


23-63 M. Kogalniceanu st.
MD-2014 Chisinau
Tel: +(373) 22 77 25 75
http://laco-alfatec.com/

Portugal ILC
Rua Dr. Alvaro de Castro n77
1600-058 Lisboa
Tel: +(351) 21 782 6030
Web: www.ilc.pt

Romania SC NITECH
Bucuresti Bucurestii Noi, nr. 212 A
Tel: +40 21 668 68 19
Fax: +40 21 668 69 30
Web: www.nitech.ro

Spain TECNOLOGIA DIFUSION IBERICA (TDI)


Avda, Diagonal
08850 GAVA BARCELONA
Tel: +(34) 93 638 2056
Web: www.t-d-i.es

Australia
Australia THERMO AUSTRALIA
PTY LTD P.O. BOX 239
NSW 1701 Rydalmere
Tel: +(61) 2 98981244/00 617
3822 9292
+(61) 2 96844244

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Chapter 1. System overview

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Overview
Intended use
Bacchus3 is designed for the qualitative and quantitative analysis of
wine samples.

Applications
Maturity control.
Havest control at delivery point.
Analysis of must and fermented must.
Analysis of finished wines (sparkling, dry, sweet, natural
sweet wines).

System architecture
Bacchus3 system is based on the FTIR1 spectrometer from Thermo
Nicolet, iS5.

The system includes an autosampler with a capacity of 117 samples.

The automation unit controls the peristaltic pump and valves that
transfer the wine sample from the sample tube to the IR and UV/Vis2
flow cells.

In the case of Bacchus3 IR/UV a UV/Vis spectrometer module is


included. The automation unit controls the sample flow both to the IR
flow cell and the UV/Vis flow cells.

The system is driven and controlled by a Windows-XP based


application: Bacchus3 Acquisition.

Analytical parameters
Bacchus3 - IR
Alcohol, density, dry extract.
Sugars (reducing, total, glucose/fructose, saccharose).
Total acidity, pH, volatile acidity.
Organic acids: acetic, malic, lactic, tartaric, gluconic, succinic,
sorbic.
Glycerol, total SO2, CO2, butanediol, ethyl acetate.
Assimilable, -amino and ammonia nitrogen, potassium,
anthocyans, tannins.

1
Fourier Transform Infra Red
2
Bacchus3 IR/UV version

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Bacchus3 IR/UV
OD 280, colour intensity, modified colour intensity,
Shade, hue, CIELab coordinates (official methods).

Specifications
Dimensions and weight
All dimensions excluding PC
IR spectrometer: L 35 x W 28 x H 26 cm - 10 kg.
Automation unit: L 35 x W 28 x H 13 cm - 1 kg.
Autosampler: L 26 x W 44 x H 19 cm - 2 kg.

Electrical specifications
IR spectrometer: 100 - 240 V 1.4 A - 50/60 Hz
Automation unit: 100 - 240 V 1 A - 50/60 Hz.
Autosampler: 115 V 3A / 220 V 1.5 A - 50/60 Hz.
Mains socket must be grounded.

Environmental conditions
Maximum operating temperature
5C (41F) to 40C (104F)
Recommended operating temperature
15C (59F) to 30C (86F)
Storage temperature
5C to 60C (140F)
Relative humidity
10 to 80 % without condensation
Fluctuation of mains voltage
10 %
Installation category (over-voltage category)
II (IEC 1010-1 1995)
Electromagnetic compatibility (EMC)
Compliant with European Directive 89/336/CEE

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Chapter 2. System installation


Security

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Overview
This chapter is particularly dedicated to Field Service Engineers for
the installation of the system in the laboratory.

It does also describe general purpose safety precautions for the service
engineers and operators at large. Specific recommendations for each
step of the process are included in the relevant sections of the manual.

Laboratory supervisors should verify that the operators dealing with


the Bacchus3 system have read the security recommendations and that
they have understood them clearly.

Precautions / Hazards
The system must be used according to the operating modes described
in this manual and with respect to the recommendations listed below.
If these recommendations were not respected some security features
could prove ineffective.

Operating the unit outside the conditions defined in this manual could
prove dangerous for the operator and in some cases lead to the
deterioration of the unit.

Warning
The installation of the Bacchus3 system must be performed by
authorized TDI engineers exclusively.
Disconnect the individual items of the Bacchus3 system from
mains for any maintenance or servicing operation.
Use exclusively spare parts and original utensils approved by the
manufacturer.
All equipments connected to the PC of Bacchus3 must be
compliant with the Low Voltage Directive (73/23/EEC) and the
Electro-Magnetic Compatibility Directive (89/336/EEC) or with
applicable national or international regulations regarding electrical
safety and electro-magnetic compatibility.
Read the user manual of each element connected to Bacchus3 for
operation and servicing instructions.
Read Bacchus3 user manual completely prior to running or
servicing the system.
Never operate with an open housing.
Connect exclusively to a correctly grounded mains source.
Use specified fuse values and type for an adequate protection
against fire hazards.
Do not touch the mobile parts of the system while in operation.
Do not touch the carrousel or attempt to stop it while in operation.
Do not run the unit with deteriorated probes or accessories
(carrousel, tubing, etc).

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Use approved sample tubes exclusively.


Bacchus3 is designed to process wine samples in the field of
oenological testing. Using it for other purposes could involve
substances for which it has not been validated. These substances
could damage some components and represent a potential hazard
for the operator.
Use the recommended background and rinsing solutions.
Allow a free air flow at the fan opening.
In case of wine or liquid spillage, blot immediately and clean with
a mild detergent. Do not use abrasive detergents or solvents
(acetone or bleach).
Do not dip the modules into water for cleaning as it would damage
electronic components.

Electrical shocks
Risks of electrical shocks exist when removing elements of cabinetry
of the modules of Bacchus3 system. For your own safety all cabinetry
items must be in place during the normal operation of the system.

Do not try to run the system if one of its sub-assemblies has been
removed from its usual location. Removing a sub-assembly may give
access to live terminals or connectors that can cause electrical shocks.

Chemical hazard
Bacchus3 is processing chemical samples and solutions. Avoid the
contact with skin and eyes.
Apply the usual laboratory precautions against chemical hazard
during rinsing or decontamination operations or when
manipulating samples, rinsing fluids and waste.
Used disposables and waste must be disposed of in accordance
with the applicable operating procedure of the laboratory.
Bacchus3 includes sharp parts that may hurt the operator during
handling in the working area or maintenance.
Be particularly careful when handling sample tubes above the unit.

Radiation
Bacchus3 IR spectrometer includes laser source, if the UV/Vis option
is installed the automation unit includes a UV light source. Avoid a
direct exposure to laser or UV radiations. During maintenance, wear
protective goggles.

Labelling and quality control


The manufacturer label includes the type, the serial number and the
standard and directive references the system conforms to.

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A quality-control label, which is located at the back of the analyser,


mentions it successfully passed the final control step and complies
with the manufacturers criteria.

The logo indicates the analyser includes electrical and


electronics components, it must therefore be disposed in accordance
with national regulations related to this type of waste.

Unpacking
Remove the system modules from their boxes and packaging material.
Gather all accessories and cables in a safe place.

The spectrometer includes optics components that are extremely


sensitive to humidity and must therefore be unpacked and stored in
a dry place away from any source of fluid.
Please note that the optics components such as the interferometer,
KBr windows and detector are not covered by the warranty.

Check that all items listed in the delivery bill have come to you in
good condition.

Location
Bacchus3 is a bench-top unit that requires less than 1 m2 of dry and
clean bench surface. It must be protected from humidity, vibrations,
direct exposure to air conditioning and radio interferences such as
cellular phones.

Ensure that the fan openings are not blocked and that the cooling of
the system can be performed efficiently.

Define a system layout that allows an easy, comfortable and safe


operation of the system. Leave enough space around the system to
handle samples and solutions.

Assembly
1. Set the Automation unit onto the bench.
2. Set the IR spectrometer onto the automation unit
3. Ensure that the two modules are correctly aligned and adjust the
IR cabinet seats if required.
4. Set the autosampler on the right hand side of the automation unit.

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System fluids
Caution! The formulation of the system fluids has been tested and
validated by TDI. Using solutions that have not been validated or
which formulation has been modified can lead to the deterioration
of the instrument and in some cases interfere with the results.

Rinsing solution
Formulation 0.5 litre deionised water + 10 ml concentrated
rinsing solution.
Use Rinsing of the fluid circuit in routine operation.
To be filled in the left hand side polyethylene
container.

Bleach solution
Formulation Dilute 30 ml of a commercial bleach solution
into 250 ml deionised water to obtain a 5%
solution. Store in readily accessible vials.
Use Rinsing of the fluid circuit at the end of the work
session. To be filled in the right hand side glass
container.

Background solution
Formulation 1 litre deionised water + 0.4 ml Triton.
Use Acquisition of the background spectrum prior to
the acquisition of sample spectra.
Capacity 1 litre tank delivered with the system.

Caution! Use deionised water exclusively. Tap water, particularly in


some areas is too hard and leaves a lime deposit on tubing and flow
cells. In some cases injection nozzles can be completely clogged

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1. Fill the solution bottle (11) with the background solutions3 and
insert it into the support on left hand side of the automation unit.
The solution bottle rack is equipped with a sensor that checks both
the presence of the bottle and its filling level.
2. Insert the aspiration tubing into position.
3. Connect the waste tank to the waste tubing (14) on the rear panel
of the automation unit.
4. Set the waste tank on the floor directly below the bench. Avoid
sharp bends in the tubing.

Connection to mains
Caution! Use grounded mains sockets exclusively!
The mains socket of the autosampler is located on the rear panel of
the unit. It equipped with an ON/OFF switch and a fuse holder .

Connect the mains adaptor of the IR spectrometer to socket 19 on the


rear panel of the spectrometer. The spectrometer must be powered
permanently.
Caution! The FTIR spectrometers require approx. 4 hours to warm-
up. It is therefore recommended to power the unit on a continuous
basis4. If a mains block with a switch is used to power on and off the
system, it is advisable to connect the spectrometer to a separate
mains socket.

The mains socket 16 of the automation unit is located on the rear


panel of the module. The mains block includes both a power switch
(17) and a fuse holder.

Bacchus3 / PC connection
1. Connect the USB port (18) of the IR spectrometer to one of the
USB ports of the command PC.
2. Link the USB port of the automation unit (15) to one of the USB
ports of the command PC.
3. Connect the COM port of the autosampler (4) to one of the USB
ports of the command PC via the USB/COM converter supplied
with the instrument.

Note: During the driver installation process the connected devices


are associated to one specific USB port of the command PC. If you
swap connection cables after at a later point in time, it is likely that

3
See formulation above.
4
It should only be powered off it the system has to be stopped for a long period of
time (one week or more).

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the device driver will not be located and you will have to either reset
the connectors into their initial position or re-install the drivers.

UV/Vis spectrometer option


If the system is equipped with a UV/Vis spectrometer you need to
install and connect the external UV light source module. It is delivered
with a long optical fibre that makes it possible to place it below or
above the system in order to save bench space.

1. Set the light source module in the desired location.


2. Link the light source serial port (1) and the automation unit
(connector 22) with the shutter command cable included in the
delivery.

3. Open the fluid compartment on the right hand side of the


automation unit5 to access the UV flow cell support.
4. Link the light source module and the flow cell support with the
optical fibre6: it goes through opening 21 on the rear panel of the
automation unit.

5
4 screws.
6
SMA screw connectors.

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Caution! Optical fibres are fragile components that should be


manipulated with great care. Avoid sharp bends. Set the protection
stoppers into position when the fibre is not connected.

5. Connect the USB port (23) of the UV/Vis spectrometer to one of


the USB ports of the command PC.
6. Connect the light source module to mains (2).
7. Power the light source module with the mains switch (3) on the
rear panel.

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Chapter 3. Software installation

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Overview
Bacchus3 software is available on an original installation CD-ROM. It
includes all the software components and accessories required to run
the system.

Software versions as well as software complementary components are


displayed in the About menu in the home page (click ? / About).
If you want to check which version is installed on your PC, right-click
Bacchus3.exe file in Bacchus3 installation directory. Click
Properties then click the Detail tab.

Software installation and update must be performed by trained


personnel exclusively. Uncontrolled file manipulations can lead to
data losses or file corruption.
The words For performance evaluation only identify software
packages that are still in the validation process ( versions). These
versions should under no circumstances be used to process samples
in a routine environment.
DVDs and CD-ROMs are fragile data storage supports; they should
be stored in a safe place away from dust, humidity and potential
scratches:
Handle CDs by the outer edges and the centre hole.
Do not place the disk face down on a hard surface.
Avoid fingerprints and scratches on the recording surface.
Do not write on the disk label with a hard or ball-point pen, use
a felt pen exclusively.
Use a soft dry cloth to remove any dust by wiping from the centre
to the outer edge.
Do not store in direct sunlight or warm and humid places.
Store the CD in its original case.
If you need to uninstall the software from the hard drive of your PC
do not remove individual files or software components. Use the
uninstall function in the configuration panel.

This section presents installation, update and de-installation


procedures. Please read it carefully before installing the software
package on a PC.

Install the various software modules in the order described here


below. A different installation order could result in driver conflicts.

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After installation, the software needs to be configured and the sample


processor calibrated before it can be used in routine. Please refer to
the relevant section in this manual.

PC minimum configuration
Pentium2 CPU or above
Windows XP or Windows 7 operating system7
SVGA graphic adapter
1 USB2 port for the communication with the IR spectrometer
1 USB port for the communication with the automation unit.
1 COM port8 for the communication with the autosampler
1 USB2 port for the communication with the UV/Vis
spectrometer9
1 Parallel or USB port for the printer.
Mouse
Colour printer

iS5 FTIR spectrometer software and drivers


The iS5 spectrometer software and drivers must be installed prior to
the installation of Bacchus3 application. The spectrometer must be
powered and its USB cable must be connected to one of the USB2
connectors of the command PC.

1. Start Windows and insert the installation DVD of iS5 into the
DVD drive of the command PC.
2. When the initial window of the installation software is displayed
click the install button10.
3. Read and accept the licence agreement.
4. When prompted enter your company name and operator ID.
5. Choose between the Typical installation and custom
installation. With the custom installation you can save hard
drive space and reduce the number of installed modules to the
minimum requirement :
Nicolet iS5 Spectrometer and Help
Omnic
Omnic internationalisation
6. The rest of the installation process, including communication
drivers will be performed automatically. If the spectrometer is
powered and connected to Omnic for the first time the installation
software may prompt the operator to remove the flow-cell
accessory and perform the optical bench alignment procedure.

7
32 bits.
8
Alternatively USB port + USB/COM converter
9
Bacchus3 IR/UV
10
If the installation does not start automatically locate and execute the program file
Setup.exe in the installation DVD.

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7. Start Omnic software from the desktop. A green check mark on


the right hand side of the window indicates that communication is
established.
8. Access the live interferogram window from the main menu:
Collect / Experiment setup / Bench. If the spectrometer is
connected and powered, the live interferogram is returned. If this
is not the case check connections and installation.

Bacchus3 application software


Caution! It is essential to use the decimal point as a decimal
delimiter for numbers. Open Control panel / Linguistic and regional
options / Regional Options. Click Personalize then select the
decimal point in the Number and Currency tabs.

Double-click Setup.exe in the installation CD to start the installation


process and follow the instructions displayed as the procedure
progresses.

When the installation is completed, the software creates a Bacchus3


program group with the main shortcuts.

In addition to Bacchus application software, the program group


contains the following utilities:

QL analyst for the display of spectra and the development of


calibrations.
Ini file Editor.
Bacchus3 User Manual11.

The communication drivers of the automation unit and of the


UV/Vis spectrometer are not yet installed. Proceed with the
installation of these drivers prior to running Bacchus3 application.

Automation unit drivers


1. Power ON the automation unit of Bacchus3 analyser.
2. Connect the USB cable. The new hardware device is automatically
identified and Windows initiates the driver installation procedure.
3. When Windows tries to locate the device drivers, specify
C:\Bacchus3\Communication drivers as folder. The required
drivers are automatically identified12 and installed. The protocol
parameters are automatically configured13.

11
Acrobat Reader format.
12
Subfolders are included in the search provided the corresponding check box is
selected.
13
9600 baud, 8 bits, No parity, 1 stop bit.

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4. In order to ensure that the drivers are correctly installed, open the
device manager window of the control panel and check that the
automation unit is identified on one of the COM ports of the PC.

If the installation utility fails to install the device drivers correctly,


error messages are returned as you start the application software. In
this case you should open the device manager in the configuration
panel of Windows to identify which connected device generates the
error and possibly reinstall the appropriate drivers.
If the device manager does not show any error, open the
configuration file Prparateur_ini.in in the
C:\Bacchus3\configuration subfolder and check the allocation of
the serial port number and parameters.

Autosampler
The autosampler of the Bacchus3 analyser communicates with the
command PC via a COM link. The serial port parameters are
configured automatically and there is no need to do so manually14.

If the command PC does not include a native serial port you need to
use a USB/COM converter. Please follow the installation instructions
of the converter to install the appropriate drivers.

UV/Vis spectrometer
If the UV/Vis spectrometer is included in the system:
1. Install the software and driver disk.
2. When installation is completed, connect the spectrometer15 to the
command PC with the USB cable provided.
3. The spectrometer is identified automatically and the required
drivers are installed.
4. Run the UV/Vis spectrometer application, BWSpec, to check
whether the communication can be established.

Configuration file
The Bacchus_3_Ini.ini file16 contains the parameters used by the
software to configure the system. This file is automatically created
when the software is run for the first time (including in simulation
mode). The simulation mode (password: simu) is particularly useful
to configure several options without testing connections with the PC.

14
For the autosampler it should be 9600 baud, 7 bits, Odd parity, 1 stop bit.
15
Please refer to the assembly section in this manual.
16
Configuration sub-folder

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A ini-file editor is included in the software package to help operating


parameter review and edition.

Caution! Changes in the configuration file must be performed by an


experienced operator exclusively as they may impact the reliability
of results.

Configuration utility
In order to avoid editing Bacchus3 configuration files directly, a
configuration utility is available in the program group of Bacchus3.
The configuration window gives access to the major parameters of the
system setup.

Connected modules: IR spectrometer, UV/Vis spectrometer,


system automation electronics, autosampler.
Language for the captions and message strings.
Selection of the screen font and character set code.

Configuration of the laboratory name


After installation the laboratory name is set to TDI international by
default. In order to customize the laboratory ID proceed as follows:
1. Run the ini-file editor from Bacchus3 program group.
2. Right-click the folder button at the top of the window.
3. Locate and select file Bacchus3.exe in the installation folder of
Bacchus3 software.

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4. Edit the laboratory name field at the bottom of the window as


required.
5. Click the save button.
6. Repeat the process with file QL Analyst.exe.
7. Click the exit button to terminate the procedure.

Software update
Caution! It is safe practice to backup the current installation before
updating it with a new release. It is thus possible to restore an earlier
version in case of an installation failure (power or PC shut down).
Follow scrupulously the instructions of Bacchus3 update CD.

Uninstall procedure
Caution! If you need to uninstall the software from the hard disk of
your PC, do not remove individual files or software components. Use
the uninstall function of the configuration panel. If you delete files
individually, you will not be able to run the uninstall procedure later
and the release number will always appear in the list of installed
software.

1. Click Start (bottom left-hand corner of the page).


2. Click Configuration panel.
3. Click icon Add / Remove programs. Select Bacchus Analysis
in the list of installed programs.
4. Click Add/Remove.
5. Click Yes in the confirmation dialog. The Uninstall utility
removes all Bacchus Analysis software components from the hard
drive of the PC.

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Alternatively you can run the uninstall function from the program
group of Bacchus3 software.

The other software modules used by Bacchus3, Thermo Nicolet


Omnic and BWSpec should be uninstalled separately.

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Chapter 4. Running the system

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Starting the application


Caution! All the modules of the system17 must be powered before
starting the program.
Check that the liquid level in the system fluid and rinsing solution
vessels is sufficient. Refill as required.
Empty the waste tank if required.
Double-click the Bacchus3 icon18 to run the application.
Click the arrow next to the login button to select one of the
available logins.

Enter the corresponding password19.


Press the arrow button to access the routine software or press the
cancel button to select another login.

Note: The simu password enables starting the application without


checking the connection with the modules of the system.
During the initialisation phase the software checks communication
between the PC and the modules of the system. With Bacchus3 IR/UV

17
iS5 FTIR spectrometer, UV/Vis spectrometer, automation unit, auto sampler.
18
Desktop or program group.
19
The padlock icon indicates whether a valid password was entered.

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the integration time for each cell of the UV/Vis spectrometer is


worked out.

Error messages are returned if the communication cannot be


established or if integration time is out of specification.

When the initialisation step is completed the home page of the


application is returned.
Note: If you are running the application for the first time of the day,
the only available function is the test of the optical bench.

Optical bench test


This function is designed to check:
The correct operation of the spectrometers.
The correct operation of the automation unit.
The spectral response and the stability (noise) of the optical
benches in all spectral bands. The quality of the response is a
function of the available energy, a satisfactory warm-up time, the
regularity of the injection of the background solution.

If the status icon is orange20 click the baseline button to run the test.
The system injects the background solution in the flow-cells and
performs a series of scans. The average transmission spectrum21 is
worked out and the fluctuation (noise) is measured in different
spectral regions.

The test is repeated up to ten times and stops automatically as soon as


the processed parameters are within specifications. Press any key to
interrupt the test.

The values out of specification are displayed in red. Set the mouse
pointer over the spectral regions to display the acceptance range.

The pictogram at the bottom of the page indicates that the test was
completed satisfactorily.

20
If this is not the case, set the mouse pointer over the icon to display the cause of
the error.
21
Values expressed in % of transmittance.

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Test data is automatically saved to a text file in the Bacchus3 controls


/ 100PC folder. The file name includes the time and date of the test22.

Test data can be printed or saved to a specific file.

If the UV/vis spectrometer is connected, click the optical bench button


to switch over to the UV/Vis graph.

The main parameters are:


The energy level of the IR spectrometer. This value can be
adversely impacted by the alignment of the interferometer, the
ageing of the light source or a flow-cell issue (leakage, stains,
etc).
The integration time for UV spectrometer. This value can be
adversely impacted by age of the deuterium lamp23 or a flow-cell
issue (dirt, leaks, etc) or damaged optical fibers.

22
Click the save button to save data in a specific file.
23
Maximum 2000 hours.

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The noise ratio. This test is performed for all the spectral bands
covered by the system. This parameter reflects the quality of the
response of the optical benches and the absence of interferences
such as electromagnetic perturbations or vibrations24. In the IR
spectrum, the noise ratio must be inferior to 0.03 % except in band
1 and 5 where 0.5 % is acceptable.

Note: the bench test printout includes a sign off field. This document
can thus be used as proof of the system QC.

When the bench test is completed the comprehensive icon bar is


displayed. All software functions are now available. Please check in
the following sections of this manual for a detailed presentation of
each function.

Rinsing the fluid circuit


Caution! Once the analysis process is completed, the fluid circuit of
Bacchus3 MUST be thoroughly rinsed before switching off the
system.
The rinsing cycle must be performed if the system is idle for more
than 2 hours and in any case at the end of each working session.
Failing to rinse the circuit can lead to blocked tubing and filters and
to a deterioration of the optical quality of the flow-cells.

Both a rinsing solution25 and a bleach solution filled in containers at


the rear of the carrousel of the autosampler26 are used for the rinsing
cycle. They are pumped in a sequence and left to soak in the fluid
circuit for a defined period of time. At the end of the cycle the circuit
is rinsed and filled with the background solution.

Select the circuit rinsing option from the fluid circuit button in the tool
bar and wait until the completion of the cycle. Information windows
update the operator with the progress of the cycle.

Click the cancel button to interrupt the cycle if required.

24
Cell phones, centrifuges, etc
25
See formulation above in this manual.
26
See instrument presentation above in this manual.

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Circuit priming
The fluid circuit is primed automatically when starting the system. It
may however be necessary to re-prime the circuit after refilling the
background solution bottle or if the system has remained idle for a
lengthy period of time and bubbles have formed in the capillaries.

Select the circuit priming


option from the fluid circuit
button in the tool bar.
Select the priming fluid27.

Click the start button. The


priming cycles runs
automatically.

System shut down


Click the quit button to shut down the application.
If you have run samples a message box indicates that the system
should be rinsed prior to shutting down. If you have not performed
the rinsing cycle cancel the shut down procedure and rinse the
system a described above.
When the application is closed you can shut-down the PC.
Power down all the modules of the system except the IR
spectrometer.
Remove the sample tubes from the carrousel.
Empty the waste tank if required.

Decommissioning
The decommissioning process must be performed by trained TDI
personnel. The following operations must be performed:
Rinse the fluid circuit.
Rinse with alcohol and drain the UV/Vis flow-cells as they could
break if the system is exposed to temperatures below 0C.
Remove all sample tubes from the auto-sampler carrousel.
Empty, rinse and drain the rinsing solution and waste tanks.
Pull the silicone tubing out of the pinch valves.
Switch off Bacchus3 and PC and disconnect mains leads.
Disconnect all communication cables.
If Bacchus3 has to be shipped, set the system modules and their
accessories into their original boxes.

27
Background solution as default.

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Chapter 5. Software configuration

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Access levels
The access to Bacchus Analysis is password controlled. It is therefore
necessary to define the list of authorized operators and their access
level. It is possible to create as many operator records as required.

Each operator record is characterised by a login, a password and an


access level.

The system administrator can choose from three access levels:


administrator, technician level and analyst level. Each level gives
access to a specific set of functions. The functions available in the tool
bar are defined by the access level associated to the account used to
log in.

Administrator level

All functions are accessible, including account configuration, protocol


setup and system standardisation.

Laboratory technician

The laboratory technician level is the typical routine operator account


level. All routine functions are accessible. All configuration functions,
account configuration, protocol setup, calibration adjustment, system
standardisation are disabled.

Analyst

The analyst level is the advanced operator account level. It is


specifically designed for the calibration selection and adjustment step
as well as the protocol setup step.

Account management
You need to be logged as an Administrator to access the account
management function.

Creating new entries


1. Click the account management button to open the function
window.

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2. Click the add button to create a new entry in the list of accounts.
The default operator name is Bacchus 3.
3. Edit the operator ID field as required.
4. Enter the operator password.
5. Select the appropriate access level for this operator.

Reviewing and editing entries


The counter at the bottom of the window displays the number of
operator entries. Use the arrow buttons to navigate in the list. Edit the
ID, password and access level fields as required.

Deleting operator entries


Use the arrow buttons to locate the entry that you want to delete, and
then click the delete button to remove the entry from the list.

Click the exit button to close the account management window.

Operator identification
The operator identification is usually performed during the login step
at application start-up. It is however possible to re-log with another
account without shutting down the application.

Click the arrow of the login button in the tool bar to select one of the
operator accounts, enter the related password, click the enter button.
The operator ID is displayed in the title bar of the printed result forms.

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Printer selection
Click the printer configuration button in the tool bar to select a
specific printer for your print-outs. The printer defined as the default
printer at Windows level is automatically selected as default printer
for Bacchus3 application. You may however select any printer in your
LAN and define specific page orientation parameters.

Active window
When several windows are opened simultaneously, click the window
selection button to select the active window.

Tool bars
If you do not remember the function of the buttons in the tool bars,
simply set the mouse pointer onto the button icon to display a short
description of the function.

If you want to display the button captions on a permanent basis you


need to edit configuration file Bachus_3_Ini.ini in the
configuration sub-folder with the configuration file editor28.

Locate section software setup, sub-section Display Menu


Caption and set the parameter to -1.

28
Caution: with low resolution monitors part of the right end of the tool bar may be
truncated.

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Chapter 6. Protocol definition

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Click the protocol button29 to access the protocol definition window. It


includes all the parameters that are related to the analysis protocols:
spectra acquisition, fluid handling, calibrations, etc...

The protocol definition window includes 2 tabs. Click the tab icon to
open the selected tab or press [Ctrl]+[Tab] to switch over from one tab
to the other.

Click the exit button in the first tab to exit the protocol definition
menu and save the modified parameters.

Caution! Protocol setup is valuable information that has required


time to acquire and fine tune (calibration slope and bias values in
particular). It is therefore safe practice to archive printouts out the
protocol parameters.

Protocol selection

Select the protocol that you want to edit or review from the protocol
combo-box. All entry fields are automatically updated with the related
parameters.

29
This button is only accessible if you have used an administrator or level 2
account to log in.

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Adding a protocol
If you want to create a new protocol click the Add button on the left
hand side of the window. The default ID of the protocol is
Bacchus3. You can edit this default name as required. Click the OK
button to validate the new protocol entry.

The protocol name can be edited at a later point in time in the


Protocol ID field. The protocol combo box will be updated
accordingly.

The data files related to each protocol are saved to a specific subfolder
of the Protocols folder30. The folder name includes the date of
creation and the protocol ID (e.g. C:\..\Protocols\25-06-2013
Bacchus3).

Deleting a protocol
If you want to delete a protocol record from the list of available
protocols, select the protocol from the protocol combo-box then click
the Delete button on the right hand side of the window. Confirm
your intention in the confirmation window to proceed.

30
It is possible to define another location when creating the protocol. Please note
that the subfolder name will remain unchanged if you edit the protocol name at a
later point in time (see above).

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Define in the following window whether you want the related


calibration files and protocol folder to be deleted as well.

Protocol colour
A distinctive background colour for the analysis screen page can be
associated with each protocol or type of protocol31 in order to monitor
easily the progress of the analysis process and check at a glance
whether the selected protocol is the correct one.

Double click the Colour field and select a colour from the displayed
palette then click OK to validate. The background of the Colour
field is updated accordingly.

Protocol printout
Click the print button to send a comprehensive printout of the protocol
parameters to the selected printer32. It includes all related calibrations
parameters (slope, bias, target values for control samples, etc...). This
information is particularly useful from a traceability point of view and
makes it possible to quickly restore a protocol that was deleted by
mistake.

Spectra acquisition parameters


The number of scans for the acquisition of sample spectra is set to 16
by default. It can be increased if stability issues are encountered.
These scans are averaged to work out the final sample spectrum.

The background spectrum obtained with the background solution is


collected at the beginning of each run. If you process large sample
series, it may be necessary to refresh the background spectrum at a
shorter interval. It is thus possible to define the validity of the
background spectrum in terms of number of samples33 or elapsed time
since the last background acquisition34.

31
For example green for finished wines, yellow for musts, blue for fermenting
wines.
32
Please refer to the Configuration section in this manual.
33
Default value 40
34
Default value 0 to disable the function.

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If the UV/Visible spectrometer35 is included in the system, the sample


acquisition time and dark acquisition time36 expressed in millisecond,
can be assigned.

Result processing options


Result printout: when this option is selected, the analysis results
are printed automatically at the end of the analysis process.

Automatic correction: this parameter enables correcting


automatically the analysis results as a function of the offset
between the measured value of a control sample and its target
value37. In fact this function momentarily modifies the bias of the
calibration. When this function is enabled a control sample ID
must be entered in the ID field on the right. Use a unique identifier
that will be used for the control samples exclusively.

Averaging results: if you include two or more calibrations for the


same component in the same protocol38 and if this option is
enabled, the individual results obtained with each calibration are
averaged and the result table has a single column for that
component. When this option is disabled the result table includes
one column for each calibration.

Sample handling parameters


Pumping time: default value 12

Sample priming time: default value 3

Counter-flow pumping: with this option the peristaltic pump


rotates in the opposite direction after injecting the sample in the
circuit in order to reject particles that may be trapped at the in-line
filter level. The fluid is rejected directly in the original sample
tube.

Probe low position coordinate: this parameter defines the


position of the tip of the sampling probe in the sample tube. The
default value is 880. You may need to modify this value if, for
example, you run centrifuged sample tubes and need to pump the
sample above the sediment surface.

35
Optical bench B
36
The dark spectrum is the absorbance spectrum recorded by the detector with a
closed shutter. This spectrum corresponds to electronic noise of the detector and is
subtracted automatically from the sample spectrum.
37
See below.
38
3 different alcohol or sugar calibrations for example.

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Sample degassing: when this option is enabled the samples flow


through a bubble trap in the fluid circuit making it possible to
process samples with a CO2 content up to 1.5 g/L.

Calibrations
The second tab of the protocol definition window is dedicated to the
selection of the qualitative and quantitative calibrations, the setting of
the calibration parameters and the setting of the control sample values.

Identification libraries
An identification library is a particular type of calibration designed to
sort out samples automatically as a function of the concentration of
one of their components (e.g. dry wine / sweet wine). The library
includes a large set of sample spectra used as references. Each
spectrum of the library can be linked to one or two discriminating
criteria. Each criterion may include several sub-classes: e.g. a
discrimination based on the sugar content can be further subdivided
into dry, semi-sweet, sweet...

When an identification library is enabled, the unknown sample is first


compared with all the spectra in the library in order to identify the
spectrum with the highest match factor. The criteria of the matching
spectrum in the library determine to which group the unknown sample
belongs to and which quantification calibration should be applied.

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In order to attach an identification library to the selected protocol click


the folder button on the right hand side of the selection field. The
default folder for library files39 is Library. You may however
navigate the folder tree to locate a library file located elsewhere.
When no library is attached the library field reads @@@. When a
library is attached it includes the library file name and access path.

Right-click the library field to detach a library from the protocol.

Quantification calibrations
Quantification calibrations are tools designed to measure the
concentration of a given analyte in a complex matrix. They are
specific for this component and process the spectral data located in
one or several bands.

The calibrations can be transferred from one analyser to the other and
are adjusted to the specifics of each optical bench with a simple ax+b-
type linear regression equation, where a is the slope value and b
the intercept or bias.

The quantification calibrations are characterised by four parameters:


the name of the compound to be measured (alcohol, sugar, malic
acid, ...)
the unit (g/L, %...)
the number of decimal positions for the result
the equation slope
the equation bias

In order to attach a quantification calibration to the selected protocol


click the folder button on the right hand side of the selection field. The
default folder for the quantification calibration files40 is Calibrations.
Navigate its subfolders to locate the calibration you want attach to the
protocol. The name of the calibration is displayed in the list of
selected calibrations.

39
With lbf extension.
40
Qnt extension.

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The default parameters of the calibration are displayed above the


selection line and may be edited as required41. Please refer to the
calibration adjustment section to edit the slope and bias values.

Please refer to the section dedicated to calibration adjustment to


learn how to modify slope, bias and compound ID parameters

It is possible to attach as many quantification calibrations as required


to the analysis protocol. Use the cursor buttons to navigate to the next
available position, identified by @@@ and repeat the calibration
selection procedure describe above. If you have left empty calibration
slots in the list, they will be deleted automatically as you exit the
protocol setup window and save the protocol data.

A right-click in the calibration selection field opens a contextual menu


with the following options:
Remove calibration: removes the selected calibration.
Delete all calibrations: removes all the calibrations attached to
the protocol
Insert calibration: creates a gap in the list of selected calibrations
in order to insert a new calibration in a specific position. Proceed
as described above to actually insert the calibration.

If you have attached an identification library to the protocol you can


define in which case each quantification calibration is applicable42.

41
Double click the compound field to select another compound name. Double-click
the unit field to edit the number of decimal positions.
42
For example, if the library is designed to discriminate samples according to the
sugar content, you may want to attach a volatile acidity calibration that is optimised
for sweet wines and another for dry wines.

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The discrimination criteria of the identification library are available


for selection in the combo-boxes #1 and #2. Repeat the operation for
all available calibrations as required. If a calibration is applicable
whatever the outcome of the identification step, set the field values to
@@@.

A copy of the calibrations that are attached to a protocol is saved to


the default folder of the protocol43. Hence, the original copies of the
calibrations are preserved. Click the calibration folder button to define
another destination folder.

Control samples
In order to automatically compensate possible fluctuations of the
optical bench, control samples can be run together with the routine
samples.

A control sample is a wine sample that is available in sufficient


quantity to last for a couple of weeks and for which analytical results
are available for one or several parameters of the analysis protocol
(alcohol, sugar, total acidity). The control sample must be stored in
such conditions that the analytical properties are preserved over the
period of use44.

The results obtained with the control samples are confronted to


assigned target values. The sample results of the current batch are
corrected as a function of the measured offset with the target value,
the assigned tolerance and the defined number of sigmas.

If you have enabled the automatic correction of results and defined a


control sample identifier in the first tab you need to enter, for each
calibration where the automatic correction is applicable:
The target value of the control sample. By default it is set to -1,
meaning no target value, hence no correction.
The acceptable fluctuation or tolerance value45,
The number of tolerated sigmas.

When the results of the control sample are within the expected
tolerance range no correction is applied. In the control sample
line of the result table, the cells for which a target and a tolerance

43
See above.
44
Bag-in-Box wine is an ideal solution: no evaporation, sufficient volume
45
Sometimes referred to as the 1 range or SD.

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value have been assigned are displayed with a green background.


The column headers are displayed with green character.

When the offset between the target value and the experimental
value is within 1 and 3 times46 the defined tolerance range, the
batch results are corrected automatically provided that the
relevant configuration option is selected in the first tab47. The
related column header is displayed with orange characters.

When the offset between the target value and the experimental
value is beyond 3 times the defined tolerance range the results
are not corrected automatically. It is then the responsibility of the
operator to correct them.

46
Typical range. As a function of the sigma parameter the range can be adjusted to 6
47
See above.

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Chapter 7. Analysis process

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When the system is fully initialised and the optical bench test is
completed it is possible to start the analysis process. It is organised
around 3 main steps:
Sample identification and definition of the worklist.
Sample processing and spectra acquisition
Result display, printing and transfer.

The status icon indicates whether sample processing can start:

The orange sign indicates that the hardware is ready (everything is


connected and initialised) but no work list is defined as yet. You need
to either enter the work list page or reanalyse collected spectra.

The green check mark indicates that the hardware is ready to process
and that at least one run is available in the worklist. You can access
the processing window directly.

The red sign indicates that the system is not ready48. Set the mouse
pointer onto the status icon to display the root cause of the current
status.

Worklist edition
Click the worklist button in the tool bar to identify the samples to be
processed and build the worklist.

48
Hardware not initialised, device connexion not established, rinsing solution bottle
is empty...

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Defining batch records


The worklist is divided into work sessions. Each session
includes a batch of samples that are processed with the same
analysis protocol. For each sample batch you need to define
the following parameters:
Initial sample position in the carrousel of the
autosampler.
Number of samples in the batch.
Identity of all the samples in the batch. Make a right
click in the sample ID fields to display a contextual menu.
Analysis protocol.
Destination folder for the sample spectra.

When all these parameters are entered click the save


button to save the new batch record to the worklist49. If this
batch record is the first one in the list the analysis screen
page is automatically returned50. Click the worklist button if
you wish to resume sample identification.

It is possible to edit any entry in a batch record as long as


processing has not started for this batch. Double click the
batch record in the list of saved records to display all
configuration items.

Right-click any batch record in the list to delete it. Confirm


your intention in the validation window. This option is not
available if the worklist item is being processed.

Spectra folder
Each sample spectrum is saved as an individual file with an SPC
suffix. The file name is the concatenation of the date and time of
analysis followed by the sample ID. It is thus possible to run the same
sample several times without overwriting the previous spectra.

It is recommended to organize the spectra archive either on a time or


on a protocol basis in order to locate and retrieve them more easily for
review or reanalysis purposes.

49
The default folder for the worklist items is C:\Bacchus3\Batch records. If this
default destination has to be modified edit the Bacchus_3_Ini.ini configuration file,
section Subdirectory Setup, sub-section Analysis definition Subdirectory and
enter the path and name of an accessible folder.
50
See below.

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The default spectra folder is C:\..\Saved spectra. Click the folder


button to create a new folder and/or select another destination.

Sample identification
Direct identification: when all sample IDs are different enter
them directly in the sample ID fields.
Unique sample ID: when all samples are identified with a unique
character sting51 enter it in the first ID field then press the + key
to copy it to all the other fields.
Unique root ID + sequential number: proceed as described
above for the root ID, add the initial sequential number in the first
field after the root string, make a right-click then select the
incrementation function in the contextual menu. If a sample is
removed from the list the incrementation function proves
particularly useful to renumber the rest of list.
Incremental numbers: enter the initial point of the incremental
series in the incrementation field. Any existing sample ID in the
sample ID fields is overwritten.
Control sample: set the cursor into the position where you want
to insert a control sample then press key F3 to enter
automatically the control sample identifier as defined at protocol
level.

Please note: The control sample function must be enabled at


protocol definition level52 in order to insert control samples in a
batch.
Standardisation solution: set the cursor into the position where
you want to insert a standardisation solution sample53 then press
key F2 to enter automatically the identifier of the
standardisation solution.

Analysis cycle
When the worklist includes at least one sample batch and the status
icon is a green check mark, click the Processing button to enter the
sample processing page. This button is available either in the tool bar
at the top of the screen page or in the worklist edition page.

51
Repeatability test for example.
52
See above.
53
Please refer to the standardisation section in this manual

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Spectra acquisition (with autosampler)


Click the Start button to launch the analysis process. The
analysis cycle follows the processing pattern below. Messages and
icons at the bottom of the screen page help monitor the progress of the
analysis process. The content of the worklist table is updated
automatically. It is possible to return to the worklist page
while the system is processing samples in order to add new
sample batches to the list.

1. Pumping and injection of the background solution.


2. Acquisition of the background spectrum.
3. Pumping and injection of the first sample of the first batch of the
worklist.
4. Acquisition of the sample spectrum and processing of the spectral
data.
5. Real time display of the analysis results of the first sample.

6. Steps 1 through 5 are repeated until the end of the batch.


7. Rinsing of the fluid circuit.
8. If the worklist includes other sample batches, steps 1
through 7 are repeated with the next batch in
chronological order.

Spectra acquisition (without sampler)


When the system does not include an autosampler, the operator has to
set samples and rinsing solution troughs into position below the
sampling probe. The status bar indicates which operation must be
performed and the animated start button indicates that the software is
waiting for an operator intervention.

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When the operator has completed the requested task, he has to click
the start button or press the push-button of the right hand side of the
front panel of the analyser.

Result display
Analysis results are displayed as soon as the scan cycle of the
spectrometer is completed. With the button at the top left corner
of the result table it is possible to toggle between 2 display
modes54:
Full width table display
Table + spectrum display. The green check mark in the
result table indicates which spectrum is displayed in the
graph box.

54
This button is enabled when the analysis process is either completed or paused.

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If the discrimination function is enabled at protocol definition level55 it


is possible to display the sample class that was identified with a right-
click in the result table and to modify manually the class as required.
The calibration associated to the selected sample class is then applied
and the concentration result modified accordingly. Function key F2
restores the original values.

Error icons may be displayed in the result table as a function of errors


encountered during the analysis process:

Acquisition error of the infrared spectrum.


Error with the autosampler cycle.
Insufficient liquid level in the background solution
bottle.
Read error with a qualitative library during the
analysis.

Interrupting the analysis cycle


Click the Start button while the worklist is being processed
to terminate the run when the analysis of the current
sample is completed. The current batch record is left with the
remaining sample records. A new click resumes processing
where it stopped.

Click the top left cell of the worklist table to interrupt the
run at the end of the current batch. A red sign indicates
that the request is taken into account. At the end of the
processing cycle the red sign is turned off.

Processing urgent samples


Please note that this function is exclusively available when
processing is in progress. The button that is required to save a batch
record with the highest priority level is only displayed when the
analyser is running.
Ensure that worklist processing is in progress.

55
High/Low sugar content for example with an identification library.

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Create a new batch record with the urgent sample(s) as described


above for routine sample.
Save the new batch with the urgent sample button56.

The processing of the batch is interrupted as soon as the


analysis of the current sample is completed. The urgent
sample is analysed. The processing of the interrupted batch
resumes automatically.

Result printing
Click the printer button to send the result table on display to the
printer.

Export of results
TXT format
It is possible to export the results on display to a text file57. The export
file can be saved to the local hard drive of the system PC or to any
accessible network folder. The text file format uses the tabulation
characters as data separator58.

As you click the export button, the file definition window opens
automatically and you are prompted to enter the name of the data file
and its destination folder. The suffix is added automatically.

The export file includes for each sample on display:


The address of the sample spectrum,
The date and time of analysis59,
The sample ID,
The quantification results for all the parameters of the analysis
protocol.

The text file may be opened with any text editor (Notepad) or Excel.

56
This button is only displayed when processing is in progress.
57
TXT suffix.
58
Default value. Please refer to section TXT setup in Bacchus_3_Ini.ini file to
modify.
59
In the same column, data separated by a space character.

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Caution! In case of error when acquiring the sample spectrum an


icon is displayed before the sample ID in the result table60 and the
related results cannot be exported.

The results of each work session are automatically saved to a TXT-


file into one of the subfolders of C:\..\Bacchus3\Bacchus3
controls\Resultats. A new sub-folder is generated for each working
day. These files are used by the daily summary function61.

MDB format
The analysis results are automatically exported at the end of each
work session to file Results.mdb. It is created automatically into
folder C:\..\Bacchus3\Database if it does not exist. If it exists the new
results are added at the end of the table62.

Caution! The results are saved automatically to this file during the
routine analysis process. In order to avoid duplicates the reanalysis
function does not trigger the automatic export function. It must then
be run by the operator. Please check below.

Each sample record includes the fields listed here below. They are
updated as required.
Record index number63.
Analysis date.
Analysis time.
Analysis protocol ID.
Sample ID.
Number of parameters in the protocol.
For each parameter in the protocol64 :
o Index number in the parameter table
o Parameter name and unit
o Processed result.
Number of quality indexes related to the analysis protocol.
For each quality index65 :
o Index ID.
o Processed value.

60
Please check above.
61
Voir ci-dessous.
62
Append mode.
63
Generated automatically.
64
Maximum 40.
65
Maximum 5.

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Reanalysis function
Bacchus3 application saves both raw sample spectra and results. Each
spectrum is saved as a file66 that is automatically named as follows:
System date: MMDDCCYY
System time: HHMMSS
Sample ID
File suffix: SPC

Spectra are thus unique and cannot be overwritten. The same sample
will generate different files if it is run several times since the
processing time is different.

The re-analysis function can be used to:


Restore the results obtained with a set of samples that were
processed in a previous run.
Reprocess sample spectra with a modified analysis protocol:
modified slope and bias, new calibrations, quality index, etc

1. Open the Processing screen page.


2. Select one of the available analysis protocols from the protocol
combo-box.
3. Click the re-analysis button.
4. Locate67 and select the spectra that you want to re-analyse.

Please note that if you select several spectra files, you should
always click the last spectrum in the list, THEN, the first one.
The spectra would otherwise be listed in reverse order.

If you have checked the Advanced parameters option it is


possible to specify a set of criteria (processing date, root ID,
folder, etc...) to sort out automatically the spectra to be
reprocessed.
5. The spectra are processed, taking into account the current
parameters of the analysis protocol, and the result table is
returned.

Caution! The reanalysis function reprocesses the spectral data with


the current parameters of the analysis protocol. If, for example, the
slope and bias values have changed since the spectra was first
acquired, the processed results will reflect this parameter change. If
you wish to restore the results as they were initially calculated when
saving the spectrum use the daily summary function described
below.

66
SPC format.
67
Select drive and folder.

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In re-analysis mode, when the reanalysis table is displayed, click the


export button to send the results to the Microsoft Access file
Results.mdb.

Caution! The results are saved automatically to this file during the
routine analysis process. In order to avoid duplicates the reanalysis
function does not trigger the automatic export function. It must then
be run by the operator. Please check below.

Result review
Click the Result summary button to review the result tables of the
successive runs of the day68. If required click the arrow of the date
combo-box to select another day.

The results of each work session are automatically saved to a TXT-


file into one of the subfolders of C:\..\Bacchus3\Bacchus3
controls\Resultats. A new sub-folder is generated for each working
day. The TXT-files are named after the time of the end of the run69.

The result tables are presented in chronological order. Use the arrow
buttons to navigate the list of result tables.

Double-click the time box to delete the result table on display.


Confirm your intention in the validation box.

68
Default parameter.
69
Format: HH_MM_SS.txt

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Chapter 8. Calibration adjustment

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The quantification calibrations that are included in the software


package of Bacchus3 were developed with spectra that were acquired
with another spectrometer than the one that is currently connected into
your system. Since the spectral response can vary slightly from one
optical bench to the other it is necessary to adjust each calibration to
the instrument that is going to collect your sample spectra.

Furthermore, calibration adjustment is essential if the concentration of


the component has to be expressed with another unit than the one that
was used to develop the calibration (e.g. Total Acidity in g/L Tartaric
Acid rather than H2SO4, or sugar content of must in Oechsle, etc...).

The unadjusted quantitative calibration works out a concentration


value that is converted into the final result by means of a simple ax+b-
type linear regression equation where a is the slope value, b the
intercept or bias and x the initial concentration value.

You need to log in with a level 2 password to access the calibration


adjustment function

The calibration adjustment process includes the following steps:


1. Defining a calibration set.
2. Acquiring the spectra of the calibration set.
3. Entering the reference values of the calibration set.
4. Processing and fine tuning the adjustment equation.
5. Attaching the adjusted calibration to an analysis protocol.

Selection of the adjustment set


FTIR is an indirect method; hence the reliability of the routine results
is highly dependent upon the rigorous selection of the adjustment set
and the precision of the reference values. Some guidelines for the
selection of the adjustment set must therefore be strictly observed:

Set of 10 to 20 samples70.
Samples distributed over the complete range that needs to be
covered and at least 25 % around the foreseeable mean value.
Even distribution of the samples over the complete range;
Gaussian distribution to be avoided.
The adjustment set must be carefully analysed with reference
methods.
The typical standard deviation of the analysis method should be
known in order to help with the selection of the calibration. You
should bear in mind that the standard deviation obtained with the

70
The adjustment function requires at least 4.

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FTIR spectrometer cannot be better than that of the method used


to produce the reference results.
The adjustment set must be preserved in the best possible
conditions71 and be analysed as quickly as possible both with the
reference method and the FTIR.

Adjustment protocols
Defining adjustment protocols is not an absolute must; however a
specific protocol for the adjustment of each parameter makes the
calibration selection step easier.

Please refer the protocol setup section in this manual for a detailed
presentation. The only difference with routine protocols is that you
attach to these protocols series of calibrations related to a single
component (e.g. 4 alcohol calibrations) in order to identify the one
that work best with your samples.

Spectra acquisition
Before you start the calibration adjustment procedure, ensure that
the system is perfectly stabilized and in good working order. Perform
the carry-over and repeatability test as described below in this
manual.
1. Select the required adjustment protocol.
2. Use sample IDs that are easy to remember and locate, e.g.
Alcohol 12.5%, Alcohol 12.8%, Titrivin AA1 When
possible, it is good practice to duplicate each sample.
3. Load the sample carrousel with the sample tubes of the adjustment
set.
4. Run the adjustment set as described above for routine samples.

Alternatively, if you want to use spectra of reference samples that


were analysed previously use the re-analysis function.
71
Closed vials to prevent the evaporation of alcohol and CO2 for example.

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Entry of the reference values


1. Click the Reference values button while the result table is on
display. Sample instrumental results72 and reference values are
presented in a table format. If the adjustment set has never been
used for a calibration adjustment procedure, the reference value is
identical to the instrumental value. If a reference value is already
associated with the spectrum it is displayed.

2. Enter the reference values for each sample of the adjustment set in
the Ref column. Enter -1 if a value is not available. The copy73
and paste74 shortcuts of Windows can be used to copy data from an
external application75. The reference values are applicable to all
the calibrations included in the calibration adjustment protocol.
Use the arrow buttons to navigate the list of calibrations and
display the related instrumental values.
3. Click the exit button to proceed.

Please note that the results processed with a calibration reflect


the reference values used to adjust it. If you have used reducing
sugar values, a sugar calibration predicts reducing sugar results;
if you have used glucose/fructose values the same sugar
calibration predicts glucose/fructose results. In order to modify
the parameter associated to a calibration:
Run the file editor utility76.
Right-click the QNT file for which you want to modify the
associated parameter.
72
Results obtained with the selected calibration with its current slope and bias
values.
73
Ctrl+C
74
Ctrl+V
75
Text editor, spread sheet, etc
76
Editor.exe

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Select from the parameter combo-box the parameter of your


choice.
Save the modified data

Equation processing
As you close the reference value window the equation processing step
is automatically triggered and a comprehensive report is presented to
the analyst for the final selection.

The first tab of the report includes a summary of the adjustment


process with the following information for each calibration in the
adjustment protocol:
Standard deviation before and after adjustment.
Slope and bias values before and after adjustment.
Performance index (the higher the value the more appropriate the
calibration). The calibration with the best performance is
highlighted in green. Calibrations with a performance index below
5 are highlighted in red.

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The second tab of the report gives detailed information for each
calibration77 in the adjustment protocol.

Linear regression plots:


Before slope and bias adjustment on the left
After slope and bias adjustment on the right
Number of data points.
Number of outliers.

Linear regression data box:


Initial and modified equation parameters78
Initial and final Standard Deviation (Se),
Correlation coefficient
Performance index

Result comparison table


Reference concentration.

77
Use the arrow buttons to navigate. Alternatively if you double-click a specific
calibration in the summary table the related detailed presentation is automatically
returned.
78
Slope and bias

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Calculated concentration value before and after adjustment.


Concentration error before and after adjustment.

Data review and validation


When reviewing the linear regression results, click data points in
either plot to highlight the corresponding sample lines in the result
table. Symmetrically, click a sample line in the result table to
highlight the corresponding data point in the plot.

Outliers can be removed from the adjustment set with a double-click


either in the result table or the plot. Double-click the cancelled line79 to
reintroduce the sample in the adjustment set.

Caution : remove as few outliers as possible. Outlying data points


should not be removed if you are absolutely sure of the reference
values.

The selection of the best calibration and equation is based on three


major criteria:
Largest possible sample set (few outliers),
Lowest possible standard deviation (within the limit of the
standard deviation of the reference method),
Highest possible performance index.

When you have finalized the calibration selection and equation fine
tuning steps, click the save button to save the new slope and bias
values. The equation parameters are saved with the calibrations
associated with the selected protocol.

Please note: The slope and bias of all calibration that have been
reviewed are saved simultaneously when you press the save button
provided that the performance index is higher than 5. If the index is
below 5 a warning message is returned and the analyst needs to
acknowledge this situation prior to saving the equation parameters.

Enabling adjusted calibrations


After validation, the adjusted calibrations are available in the
adjustment protocol folder. If you want to enable them in routine
protocols you need to go back to the protocol setup page and to attach
the adjusted calibration located in the adjustment protocol folder. If
you perform this operation immediately after saving the adjustment
parameters, the adjustment protocol folder is automatically suggested

79
All values set to -1.

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as default folder. This saves the trouble of copying manually the


slope and bias values80.

80
The operation is however possible in the second tab of the protocol setup window.

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Chapter 9. Control charts

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Presentation
If you have defined control sample parameters in the protocol
definition module81, it is possible to monitor the stability and
reproducibility of the analyser with a Levey-Jennings plot.

Each time you include a control sample in a work list, its results are
saved to a database file in a sub-folder of Bacchus3 application:
C:\Bacchus3\Protocols\protocol name\Pilot\Results.mdb.

Each control sample record includes results for all of the calibrations
of the analysis protocol for which target values and SD have been
assigned.

It is therefore possible to plot one or several control charts for each


analysis protocol.

Operation
Click the control chart button in the main tool bar82.
Select one analysis protocol from the protocol combo box.
Define the timeframe for which you want to plot the control
sample results. As default the date of the day is proposed.
Click the search button to sort out the data points from the
database file.

The control chart of the first parameter for which a control sample is
defined is automatically returned.

81
See above.
82
This button is not displayed as long as no control sample has been configured at
protocol level.

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Navigate the list of parameters associated to the analysis protocol to


display other possible control charts.

The table on the left hand side of the page displays:


the sample IDs
the date of analysis,
the target values,
the defined tolerance,
the processed concentration,
the offset with the target value,
the cumulative value of each data point83. This option is
particularly useful to avarage the fluctuations of the help
identifying trends.

The right hand side of the page84 display the Levey-Jennings plot with
the 1, 2 and 3 sigma boundaries
the individual data points of each control sample available within
the defined timeframe.
the funnel shaped curve of the cumulated data points if this option
is enabled.

83
If this option checkbox is enabled in the display box.
84
A right-click in the graph display hides the result table and uses the full width of
the page for the graph. A new right-click restores the initial display.

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You can use the print or copy buttons to:


print the data point table,
print the Levey-Jennings plot,
copy the data point table to the clipboard to transfer it to other
application85.

85
Word, Excel

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Chapter 10. System


standardisation

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Presentation
The standardization procedure is designed to record the response of
the IR spectrometer and flow cell at a given point in time, generally
after the installation of the system and to guarantee that the response is
identical over time, even if components of the system are exchanged
(interferometer, detector, flow-cell...).

With a standardized system, it is possible to avoid readjusting the


calibrations when exchanging one of the components of the optical
bench.

The standardization function also makes it possible to monitor the


wear of the flow-cell and therefore the evolution of the path length.

The standardization process is based on the comparison of the


standardization solution86 spectrum with a reference spectrum on the
hard disk of the system PC87.

Two modes of standardization can be contemplated:

Standardization of one or several systems with a Master System:


the reference spectrum acquired with the Master System is compared
to the standardization solution spectra acquired with Slave Systems.
You can thus monitor and correct the response versus a Master
system.

Standardization of a single system: the reference spectrum acquired


at an earlier stage with the system is compared with the
standardization solution spectra acquired with the same system at a
later stage.

During the standardization process, the software works out a series of


factors and a global correction factor.

Caution: The standardization procedure must be performed prior to


a possible calibration bias and slope adjustment. Carry-over and
repeatability must be checked, and if required corrected, prior to
standardization.

Procedure
Spectra acquisition
Run the routine analysis procedure to acquire the standardisation
solution spectra. Ensure that you identify the samples automatically as
reference spectra. To do so make a right-click in the sample ID field

86
ref. IC-100-001-005
87
C:.\..\Reference\ Reference oeno.spc).

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and select Define as reference from the contextual menu88. Check


whether the results of the standardisation samples are comparable. If
this is not the case repeat the spectra acquisition step.

Reference spectrum
Please note: If the system standardization process has already been
initialised, skip the current step and proceed directly with the next
step.
If the system has never been standardized:
1. Delete the existing Reference oeno.spc file in folder C:\..\
Reference.
2. Copy the latest standardization solution spectrum89 into the
Reference folder as Reference oeno.spc. The spectrum of
the standardization solution thus becomes the Reference
spectrum.

Standardization
1. Click the Standardisation button in the tool bar.
2. Click to locate and load a standardisation solution spectrum.
3. The standardisation solution spectrum is automatically correlated
with the reference spectrum, Reference oeno.spc in the
Reference folder.
4. The function works out factors automatically in order to achieve
the spectral correlation and the average factor is displayed above
the spectra plot. The reference spectrum is plotted in black, the
solution spectrum in violet.

5. Click the save button if you decide to validate the proposed factor.

88
Alternatively press key F2.
89
Coefficient Bacchus3 - dd/mm/yy.spc.

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If 0.95< proposed factor <1.05 then it is not necessary to


save the standardisation factor since de differences are not
significant.
If the proposed factor is too high90 additional checks should
be performed prior to standardising the optical bench
(repeatability, carry-over, alignment...). A high factor
could simply hide an issue that has no relationship with the
normal wear of the optical components.

Disabling the standardization function


If you want to disable the standardization function you simply need to
double-click the factor field in order to set it back to 1.

90
> 10%

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Chapter 11. Controls and tests

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Fluid circuit unit testing


Bacchus3 Analysis includes a service module designed for the unit
testing of the components of the fluid circuit. It is thus possible to
check the valves, pumps, etc Click the fluid circuit button to access
the service module.

Please note that the layout of the service module window varies as a
function of the system configuration: Bacchus3 with and without
autosampler, with and without UV/Vis module. Some items
described here may not be visible.

Click the left or right rinsing solution through to bring the probe of the
autosampler into the corresponding position.

Click the sample carrousel icon to bring the probe into the first
position of the carrousel. Any subsequent click increments the
position of the carrousel by one step. Click the reset button to bring
back the probe into home position.

Click the valve-points to power the valves on or off. The green points
materialize the open flow-ports. When you modify the valve status the
active flow line highlight is modified accordingly.

Click the peristaltic pump icon to power ON the pump. Click again to
power OFF. The active flow line is highlighted in green when the
pump is powered. Right click to modify the rotation direction. The
active flow-line is then highlighted in purple.

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When you set the cursor onto the thermometer icon the temperature of
the sample pre-heater circuit is returned.

Click the Reset button to restore the initial status of all fluid circuit
components.

Carry-over
Purpose
The carry-over correspond to the capacity of a sample with a high
concentration of one of its major components (alcohol or sugar for
example) to modify the results of the next samples in the analysis
sequence, particularly those with a lower concentration of alcohol or
sugar.

The root cause for carry-over is the lack of efficiency of the rinsing
cycle:
insufficient pumping time,
inadequate tubing length,
damaged or worn out flow-cells.

It is important for the reliability of the results to check at regular


intervals, monthly basis for example, whether you have carry-over
symptoms.

The test should also be performed after any intervention on the fluid
circuit or optical bench and prior to adjusting calibration slope and
bias.

Procedure
1. Load the sample carrousel with 8 sample tubes: 2 wine samples, 2
water samples, 2 wine samples, 2 water samples.
2. Open the routine analysis window.
3. Select a protocol that includes alcohol and/or sugar91 calibrations.
4. Run the samples as routine samples.
5. When the run is completed, click the carry-over button to work-
out the efficiency of the rinsing cycle:
The results of 2 consecutive identical samples should be
identical.
The result obtained with water after wine should be close to
zero.
The results obtained with wine after water should be back to
the initial level.
The rinsing efficiency should be superior or equal to 99%:
Efficiency 1/2: the system checks whether the results
obtained with water are at zero or close to zero92.

91
If you use a sweet wine.

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Efficiency 2/1: the system checks whether the results
obtained with wine are not lowered by the rinsing fluid
or the previous sample.
6. If the results are not satisfactory, check the fluid circuit, clean the
flow cells with a hypochlorite solution or adjust the rinsing
parameters.

Repeatability
Purpose
The repeatability test is designed to check the capability of the system
to produce consistent results with a unique sample. It reflects the
stability of the optical bench and the fluid circuit components
(peristaltic pump, check valves, tubing).

Possible root causes for a poor repeatability level:


Vibrations,
Temperature variations (spectrometer directly exposed to air-
conditioning),
Cell phone interferences,
Defective check valves or pinch valves,
Leaks in the circuit,
Loose IR flow-cell,
Unstable interferometer, light source, laser or detector.

It is important for the reliability of the results to check repeatability at


regular intervals, monthly basis for example.

The test should also be performed after any intervention on the fluid
circuit or optical bench and prior to adjusting calibration slope and
bias.

This function also proves particularly helpful when selecting


calibration.

Procedure
5. Load the sample carrousel with at least 10 identical samples.
6. Open the routine analysis window.
7. Select a protocol that includes at least the parameters for which
you want to check repeatability.
8. Run the samples as routine samples.
9. When the run is completed, click repeatabilty test button to work-
out the average value and standard deviation for each calibration.

92
The values may be different if the calibration slope and bias are not adjusted.

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Note: If one or several results are out of range, click the cell that
you want to disable in the result table, and then right click it. The
value in the cell is crossed. Click the repeatability test button again
to reprocess the modified table. Right-click the cell again to
reactivate the value if required.

Cleaning and maintenance


The following operations may be carried out by trained operators.
Operations that are not described in this manual should be taken in
charge by service engineers exclusively.

Daily cleaning
Clean fluid splashes on the carrousel of the sampler and other
cabinetry elements with a soft tissue and a mild detergent. Dry
carefully after cleaning.

Caution! Never use solvents or abrasive products on plastic or


painted surfaces.

Weekly cleaning and checks


Remove the carrousel and clean thoroughly.
Clean the sampling needle with alcohol.
Empty and rinse the waste tank.
Check the colour of the desiccant sensor. When pink replace the
desiccant packs immediately.

Monthly checks
Renew the Triton and rinsing solution93.

93
If the tanks have not been refilled earlier.

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Check that all Silicon tubing in the pinch-valves are in good


condition.

Quarterly checks
Systematically replace desiccant packs.

Replacing defective parts


Caution! Before replacing defective parts, disconnect the system
from mains. Please contact TDIs customer service or your local
servicing agent94.

The following parts may be replaced by the operator. The installation


instruction is supplied with the part kit.

IR spectrometer desiccant
Peristaltic pump tubing.
Fluid circuit tubing.
UV/Vis spectrometer light source95.

Preventive maintenance
It is recommended to schedule one preventive maintenance operation
per year. The preventive maintenance operations must be performed
by TDI field service engineers or local servicing agents.

94
See Customer service section at the beginning of this manual.
95
Bacchus3 IR/UV

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Chapter 12. Spare parts and


disposables

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Disposables
Reference Quantity Designation
IC-400-001-002 200 Sample tubes - 10 ml
IC-100-001-003 125 ml Triton X 100
IC-100-001-004 250 ml Cleaning solution
IC-100-001-005 125 ml Standardisation solution
IC-400-001-003 1 Dehydrating cartridge
IC-400-002-007 1 Sample filter

Spare parts
Reference Quantity Designation
IC-400-002-012 1 Pinch-valve tubing
IC-400-002-011 1 Peristaltic pump tubing
IC-400-002-005 1 Solenoid valve
IC-400-002-002 1 Valve body
IC-400-002-003 1 Pump motor
IC-400-002-017 1 Automation unit power supply
IC-400-002-016 1 Bubble trap
IC-400-002-008 1 Filter holder
IC-400-001-005 1 iS5 IR light source
IC-400-001-001 1 iS5 laser diode
IC-400-001-002 1 iS5 power supply
IC-400-002-015 1 IR flow-cell (standard exchange)
IC-400-003-013 1 Sampling probe

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