Delta NMR

V5.0.4

JEOL RESONANCE, Inc.

July 2013

Delta NMR


1
2
3
4

............................................................................................................................ 1
........................................................................................................................... 1
Delta .................................................................................................. 2
................................................................................................................................. 3
4.1
Delta ................................................................................................. 3
4.1.1
(a. Delta )............ 3
4.1.2
(b. Control ) ............................. 7
4.2
........................................................................................ 9
4.3
................................................................................... 10
4.4
............................................. 12
4.5
............................... 13
4.6
Queue ....................................... 14

5 Delta V5.0.4 ...............................................................................................14

5.1
......................................................................................................................................... 14
5.2
......................................................................................................................................... 14
5.3
..................................................................................................... 17
5.3.1
single_pulse_wet180_slp .......................................................................................... 17
5.3.2
std_tocsy_pfg_phase_pn ......................................................................................... 19
5.3.3
std_tocsy__pfg_phase_pn ............................................................................ 21
5.3.4
waterlogsy ......................................................................................................................... 24
5.3.5
waterlogsy_wf ................................................................................................................ 26

Delta NMR

JEOL RESONANCE, Inc. 2013

JEOL RESONANCE, Inc.

196-8558 31-2
http://www.j-resonance.com

AcrobatPDF Adobe Systems Incorporated

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Windows, Windows XP, Windows VistaMicrosoft Corporation

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Windows XP SP3/VISTA/7 32Intel
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Mac OS X (10.4.11 ,10.5.x,10.6.x,10.7.x) 32IntelApple
* - OS X 10.4.xPDF

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1.5GHz Intel
OpenGL3D
CD-ROM

1280 80016

ECAII, ECXII, ECA, ECX, ECS

Rev B (GE VME 7751)
Rev C (USB1U)
Delta V5.0.4 JEOL
RESONANCEDelta V5.0.4
Delta

Delta NMR

3 Delta
Windows/Mac OS X

1.

NMRDelta
http://nmrsupport.jeol.com

2.

WindowsOS XDelta

3.
4.

zip/dmg

5.

6.

Delta
zipexe

Delta
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Delta
Delta

Delta
Delta

CD-ROMWindows

1.
2.
3.
4.
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6.

7.

DeltaCD-ROM
CD-ROMDelta\Windows
Delta
Delta

CD-ROM
Delta
[] []
Delta
Delta

Delta
Delta

CD-ROMMac OS X

1.
2.
3.
4.

DeltaCD-ROM
OS XCD-ROMDelta/Mac_OS_X
Delta

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Delta NMR

5.
6.

7.

CD-ROM
Delta
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Delta
Delta

Delta
Delta

4
4.1

Delta
Delta2

a. Delta
b. Control
a

ab
b

4.1.1

(a.Delta)
Delta()

1.

DeltaDelta

2.
3.

Delta NMR

[OK]
Delta

DeltaDelta
Delta

Delta()[]

Delta()Control()

DeltaControl

Delta
()

Delta-Control
DeltaControl
Delta

Delta NMR

1.

Delta[][]

2.

[]
IP

()3
()Control

4.1.2 (b.Control)

Delta NMR

3.

[][]

Control4.1.2
(b.Control)

Delta NMR

4.1.2

(b.Control)
1.

JEOLRemote Maintenance
ToolRemote Maintenance Tool(Instrument)

2.

console

3.

Remote Maintenance Tool[Control Service Management]

4.

[ ]

[Delete job related files]Control

DeltaJobQueue

Delta NMR

5.

[]

[]

[Control Service Management][ service is stopped]
[ Service]

Delta NMR

4.2

Delta

OS(
)

Delta
DeltaControl

DeltaControl

Delta
Delta
Delta4.1.1(a.Delta
)

Control()
4.1.2(b.Control)

Delta NMR

4.3

NULL

[NULL]

NULL

[NULL]

10

Delta NMR

1.

2.

[][][]

[NULL]

Control4.1.2(b.
Control)

Delta NMR

11

4.4

Delta V5.0.22H-

Delta V5.0.1
Delta V5.0.2

Relax Delay

4 (V5.0.1)
2 (V5.0.2)

2H Acetone-D6 Benzene-D6
D2ODMSO-D6Tetrahydrofuran-D8

4 ()

5 (V5.0.1)
1s (V5.0.2)

2H

5s ()

1H

2 ()

[]
()

[]
()

12

Delta NMR

4.5

1.

[]

2.

[]

3.

Delta NMR

13

4.6

Queue
[Queue]Queue
Control
QueueControl
Queue

Job#21
Job#22Queue
5 Delta V5.0.4
5.1

5.2

Shear(phase_x_y)

[Job]

(Auto Sample Changer(ASC))30
641003

ASC30ASC64ASC100Delta (1)

14

Delta NMR

 Shear(phase_x_y)
MQMASShear(phase_x_y)

Delta
Delta

Control
[Job]
Job0:00Job

V503

Delta NMR

V504

15


[]

[][]
Delta V5.0.4

5.3

a. sat_transfer_difference
b. sat_transfer_difference_wgh
(x_points)40968192
(std_sel_onreso, std_sel_offreso)
(30ppm, -0.4ppm)(0.5ppm, -10ppm)

c. inadequate_2d
d. inadequate_2d_dept
e. inadequate_2d_dept_pfg
f. inadequate_2d_inept_si
g. inadequate_2d_jcp_pfg
h. inadequate_2d_pfg
i. inadequate_2d_phase
(x_points)40968192
(t1)(_sweep)(t2)(x_sweep)2

j. cpmas_spin_echo_t2
Pulse
k. waltz
WALTZWALTZ-16WALTZ-65

16

Delta NMR

5.3
5.3.1

single_pulse_wet180_slp

WET

WETsingle_pulse_wet_slp

[x_pulse]

[wet_pulse [wet_pulse
[wet_pulse
[wet_pulse]
[relaxat
[x_domain]
ion

[x_at
]
[acq_ti

[irr_atn_dec]

[irr_domain
PFG1

[wet_grad_amp]
PFG2

FG

[wet_grad_amp]/2
[wet_grad_amp]/4
[wet_grad_amp]/8

PFG3

PFG4

dante_presat

FALSE

tri_mode

OffPresaturationHomo Decouple

Off

x_domain

Proton

x_offset

5ppm

x_sweep

20[ppm]

x_points

32768

scans

x_prescans

x_pulse

H90

x90

x_atn

6dB2

xatn

composite_pulse

FALSE

relaxation_delay

5s

Delta NMR

17

repetition_time

relaxation_delay+x_acq_time

wet_pulse

WET

x90_
soft

wet_atn

WETRF
6dB, 2

xatn_
soft

wet_shape

GAUSS

wet180

wet180wet

TRUE

wet_number

WET

wet_offset1

WET

5ppm

wet_offset2

WET2

0ppm

wet_offset3

WET2

0ppm

wet_offset4

WET2

0ppm

wet_offset5

WET2

0ppm

wet_offset6

WET2

0ppm

wet_slp

WET

wet_grad

PFG

2ms

wet_grad_amp

PFG

0.144T/m

wet_grad_shape

PFG

SINE

wet_grad_recover

PFG

0.1[ms]

irr_domain

Carbon13

irr_offset

70ppm

irr_pwidth

irr90_hi

irr_noise

GARP

irr_atn_dec

RF3dB, RF

irratn_
hi

lock_hold

FALSE

lc nmr, 1D, liquids, Single_pulse, Water_Suppression

proton.list

WET, Water suppression Enhanced through T

effects

WET180WET
S.H.Smallcombe, S.L.Patt, P.A.Keifer, J.Magn.Reson., 117A, 295-303(1995)

18

Delta NMR

5.3.2

std_tocsy_pfg_phase_pn

TOCSY

[x_pulse]
[STD_sel_180] 90

[x_pulse]
[STD_sel_180] 90
[x_domain]

[relaxation_
delay]

[mix_time]

t1

STD_sel_shape
STD_sel_atn
STD_sel_onreso

phase_acq [relaxation_
delay]

MLEV17

[trim]

[grad_1]

[trim]

[grad_2]

STD_sel_shape
STD_sel_atn
STD_sel_offreso

[mix_time]

t1

phase_acq

MLEV17

[trim]

[trim]

[grad_1]

[grad_2]

FG

dante_presat

FALSE

irr_mode

OffPresaturationHomo Decouple

Off

tri_mode

OffPresaturationHomo Decouple

Off

t1_pfilter

FALSE

x_domain

Proton

x_offset

5ppm

x_sweep

15ppm

x_points

2048

scans

x_prescans

x_pulse

H90

x90

x_atn

6dB2

xatn

y_points

t1

128

Delta NMR

19

std_sel_180

180

x90_
soft2

std_sel_atn

RF6dB
2

x90_
soft

std_sel_onreso

0.5[ppm]

std_sel_offreso

-10[ppm]

std_sel_shape

GAUSS

std_loop

40

saturation_time

STD_sel_180
STD_loop

x_spinlock_pulse

90

x90_
spin

x_spinlock_atn

RF

xatn_
spin

trim

2.5[ms]

mix_time

50[ms]

mix_time_loop

total_mix_time

grad_1

1FG(PFG1)

1[ms]

grad_1_amp

1FG(PFG1)

0.09[T/m]

grad_2

2FG(PFG1)

grad_1

grad_2_amp

2FG(PFG1)

grad_1_amp

grad_shape

FG

SINE

grad_recover

FG

0.1[ms]

relaxation_delay

2.0[s]

repetition_time

relaxation_delay+x_acq_time+[saturation_time]

2D, noe, liquids

2d_homo2d_pn.list

Saturation STD_sel_onreso
STD_sel_offreso

20

Delta NMR

5.3.3

std_tocsy__pfg_phase_pn

WATERGATEWATER suppression by GrAdient Tailored Excitation

TOCSYWATERGATE

[x_pulse]
[STD_sel_180] 90
[x_domain]

[relaxation_
delay]

W5
[mix_time]

t1

STD_sel_shape
STD_sel_atn
STD_sel_onreso

[x_pulse]
[STD_sel_180] 90

W5

phase_acq [relaxation_
delay]

MLEV17

[trim]

[grad_1]

[trim]

phase_wgh2
[grad_2] [wgh_grd]

W5

t1

STD_sel_shape
STD_sel_atn
STD_sel_offreso

W5

[mix_time]

phase_acq

MLEV17

[trim]

[grad_1]

[trim]

phase_wgh2
[grad_2]

[wgh_grd]

FG

dante_presat

FALSE

irr_mode

OffPresaturationHomo Decouple

Off

tri_mode

OffPresaturationHomo Decouple

Off

t1_pfilter

FALSE

x_domain

Proton

x_offset

5ppm

x_sweep

15ppm

x_points

2048

scans

x_prescans

x_pulse

H90

x90

x_atn

6dB2

xatn

y_points

t1

128

Delta NMR

21

22

std_sel_180

180

x90_
soft2

std_sel_atn

RF6dB
2

x90_
soft

std_sel_onreso

0.5[ppm]

std_sel_offreso

-10[ppm]

std_sel_shape

GAUSS

std_loop

40

saturation_time

STD_sel_180
STD_loop

x_spinlock_pulse

90

x90_
spin

x_spinlock_atn

RF

xatn_
spin

trim

2.5[ms]

mix_time

50[ms]

mix_time_loop

total_mix_time

grad_1

1FG(PFG1)

1[ms]

grad_1_amp

1FG(PFG1)

0.09[T/m]

grad_2

2FG(PFG1)

grad_1

grad_2_amp

2FG(PFG1)

grad_1_amp

grad_shape

FG

SINE

grad_recover

FG

0.1[ms]

watergate_selection

WATERGATE

W5

wgh_x_pulse

WATERGATE90

x90

wgh_null

WATERGATEnull
WATERGATE

5000[Hz]

wgh_tau

WATERGATE

1/wgh_null

wgh_grad

WATERGATEFG

1[ms]

wgh_grad_amp

WATERGATEFG

0.12[T/m]

wgh_grad_shape

WATERGATEFG

SQUARE

wgh_grad_recover

WATERGATEFG

0.1[ms]

Delta NMR

relaxation_delay

repetition_time

relaxation_delay+x_acq_time+[saturation_time]

2.0[s]

2D, noe, liquids

2d_homo2d_pn.list

Saturation std_sel_onreso
std_sel_offreso

T1

Delta NMR

23

5.3.4

waterlogsy

1H1H1HN

H2O1H180REBURPFG
(4.76[ppm])
180FGde-phase
1H
1

HN NOESY
WATERGATEWATER suppression by GrAdient Tailored Excitation
1H

W5

[obs_sel_180]

phase_acq

[mix_time]

[x_domain]
[relaxation_
delay]

W5

obs_sel_180_shape
phase_shape_1
obs_sel_180_atn

phase_wgh2
[grad_3] [grad_4]

[grad_1]

[mix_time]

FG

24

x_domain

Proton

x_offset

5ppm

x_sweep

15ppm

x_points

8192

scans

16

x_prescans

mod_return

x_pulse

H90

x90

x_atn

6dB2

xatn

Delta NMR

obs_sel_180

180

20[ms]

obs_sel_180_atn

RF

40[dB]

obs_sel_shape

REBURP

watergate_selection

WATERGATE

W5

wgh_x_pulse

WATERGATE90

x90

wgh_null

WATERGATE
nullWATERGATE

2500[Hz]

wgh_tau

WATERGATE

1/wgh_null

mix_time

1000[ms]

relaxation_delay

5.0[s]

repetition_time

relaxation_delay+x_acq_time

grad_1

1FG(PFG1)

1[ms]

grad_1_amp

1FG(PFG1)

0.04[T/m]

grad_2_amp

2FG(PFG1)

0.005[T/m]

grad_3

3FG(PFG1)

1[ms]

grad_3_amp

3FG(PFG1)

0.102[T/m]

grad_4

4FG(PFG1)

1[ms]

grad_4_amp

4FG(PFG1)

0.066[T/m]

grad_shape

FG

SINE

grad_recover

FG

0.1[ms]

lock_hold

TRUE

1D, noe, liquids, Water_Suppression

proton.list

H2O1H1HN

Delta NMR

25

5.3.5

waterlogsy_wf

1H1H1HN

waterlogsywater-flipbackT2T1

water-flipback
Z

T2T1

T2T1

1
waterlogsy_wf H2O H 180
REBURPFG(4.76[ppm])
180FGde-phase
1H
1HN NOESY
flipback90Z
WATERGATE WATER suppression by GrAdient
Tailored Excitation

W5

[obs_sel_180]

obs_sel_180_shape
phase_shape_1
obs_sel_180_atn

phase_shape2

phase_wgh2

[grad_3] [grad_4]

[grad_1]

FG

phase_acq

[mix_time]

[x_domain]
[relaxation_
delay]

W5

[mix_time]

elaxation_ilter

26

OffT2 FilterT1p Filter

Off

Delta NMR

x_domain

Proton

x_offset

5ppm

x_sweep

15ppm

x_points

8192

scans

16

x_prescans

mod_return

x_pulse

H90

x90

x_atn

6dB2

xatn

obs_sel_180

180

20[ms]

obs_sel_180_atn

RF

40[dB]

obs_sel_180_shape

REBURP

obs_sel_180_offset

x_offset

obs_sel_90

90

x90_
soft

obs_sel_90_atn

RF

xatn_
soft

obs_sel_90_shape

GAUSS

obs_sel_90_offset

x_offset

watergate_selection

WATERGATE

W5

wgh_x_pulse

WATERGATE90

x90

wgh_null

WATERGATEnull
WATERGATE

2500[Hz]

wgh_tau

WATERGATE

1/wgh_null

mix_time

1000[ms]

relaxation_delay

5.0[s]

repetition_time

relaxation_delay+x_acq_time

grad_1

1FG(PFG1)

1[ms]

grad_1_amp

1FG(PFG1)

0.04[T/m]

grad_2_amp

2FG(PFG1)

0.005[T/m]

grad_3

3FG(PFG1)

1[ms]

grad_3_amp

3FG(PFG1)

0.102[T/m]

grad_4

4FG(PFG1)

1[ms]

Delta NMR

27

grad_4_amp

4FG(PFG1)

0.066[T/m]

grad_shape

FG

SINE

grad_recover

FG

0.1[ms]

lock_hold

TRUE

relaxation_filter

OffT2 FilterT1p Filter

Off

delay_list

[relaxation_filter]=[ T2 Filter]
CPMG

1.0[s]

tau_step

[relaxation_filter]=[ T2 Filter]
CPMG2

200[ms]

tau_interval_t2

[relaxation_filter]=[ T2 Filter]
CPMG

(tau_step
x_pulse2)/2

loop_number

[relaxation_filter]=[ T2 Filter]
delay_listtau_step180

t1pfilter_time

[relaxation_filter]=[ T1p Filter]

100[ms]

t1pfilter_atn

[relaxation_filter]=[ T1p Filter]

RF

xatn_
spin

1D, noe, liquids, Water_Suppression

proton.list

H2O1H1HN

28

Delta NMR