SOFAST-HMQC
Version: 1.0.1 • Status: ✅ stable • Last Modified: 2025-11-15
Description
1H,15N SOFAST-HMQC
- for rapid or sensitive measurements
Experiment Type
hmqc 2d
Features
- sofast
- states_tppi
Authors
- Chris Waudby c.waudby@ucl.ac.uk
- P. Schanda
Citations
- Schanda & Brutscher, J. Am. Chem. Soc. (2005) 127, 8014
DOI Links
Additional Fields
| Field | Value |
|---|---|
| File Name | 15n_sfhmqc.cw |
| File Path | sequences/15n_sfhmqc.cw |
| Git History | {hash: e23a105b, date: 2025-11-16, author: chriswaudby, email: cwaudby@gmail.com, message: rename pulse to duration for reference pulse consistency} {hash: 15d53f5b, date: 2025-11-16, author: chriswaudby, email: cwaudby@gmail.com, message: update experiment filenames} {hash: c78ec494, date: 2025-11-16, author: chriswaudby, email: cwaudby@gmail.com, message: Update pulse sequence metadata and documentation} {hash: 1018f450, date: 2025-09-30, author: chriswaudby, email: cwaudby@gmail.com, message: Add new sequences for 19F R1, R2, and perfect echo measurements; update schema fields and documentation} {hash: 61c8842d, date: 2025-08-17, author: chriswaudby, email: cwaudby@gmail.com, message: Initial commit: NMR pulse sequence repository with documentation system} |
| Acquisition Order | f1 f3 |
| Dimensions | f3 f1 |
| Reference Pulse | {channel: f1, duration: p1, power: pl1} {channel: f2, duration: p3, power: pl2} {channel: f3, duration: p21, power: pl3} |
| Typical Nuclei | 1H 13C 15N |
Created: 2024-01-15 Repository: github.com/waudbygroup/pulseprograms Schema version: 0.0.2
Source Code
View on GitHub: github.com/waudbygroup/pulseprograms/sequences/15n_sfhmqc.cw
;@ schema_version: "0.0.2"
;@ sequence_version: "1.0.1"
;@ title: SOFAST-HMQC
;@ description: |
;@ 1H,15N SOFAST-HMQC
;@
;@ - for rapid or sensitive measurements
;@ authors:
;@ - Chris Waudby <c.waudby@ucl.ac.uk>
;@ - P. Schanda
;@ citation:
;@ - Schanda & Brutscher, J. Am. Chem. Soc. (2005) 127, 8014
;@ doi:
;@ - 10.1021/ja051306e
;@ created: 2024-01-15
;@ last_modified: 2025-11-15
;@ repository: github.com/waudbygroup/pulseprograms
;@ status: stable
;@ experiment_type: [hmqc, 2d]
;@ features: [sofast, states_tppi]
;@ typical_nuclei: [1H, 13C, 15N]
;@ dimensions: [f3, f1]
;@ acquisition_order: [f1, f3]
;@ reference_pulse:
;@ - {channel: f1, duration: p1, power: pl1}
;@ - {channel: f2, duration: p3, power: pl2}
;@ - {channel: f3, duration: p21, power: pl3}
;$CLASS=HighRes
;$DIM=2D
;$TYPE=
;$SUBTYPE=
;$COMMENT=
prosol relations=<triple>
#include <Avance.incl>
#include <Grad.incl>
#include <Delay.incl>
"cnst4=92"
"d11=30m"
"d12=20u"
"d13=4u"
"d21=1s/(cnst4*2)"
"p16=1000u"
"in0=inf1"
# ifndef ONE_D
"d0=in0/2-p21*4/3.1415"
# endif /*ONE_D*/
# ifdef OFFRES_PRESAT
"TAU=d1-10m-60u-d12*2-d13"
# else
"TAU=d1-10m"
# endif /*OFFRES_PRESAT*/
/******************************************************/
/* Predefined shapes for 1H pulses *************/
/* cnst1: center of excitation band **************/
/* cnst2: excitation band width **************/
/******************************************************/
"cnst19=8.2"
/* PC9 (p39, sp23) */
"p39=3100*600.4/bf1" /* PC9 pulse length */
"spw23=plw1*(pow((p1*1.33/p39)/0.125,2))" /* PC9 power level */
"spoffs23=bf1*(cnst19/1000000)-o1" /* PC9 offset */
"spoal23=1"
"cnst39=0.529"
/* REBURP (p40, sp24) */
"p40=2257*600.4/bf1" /* REBURP pulse length */
"spw24=plw1*(pow((p1*1.97/p40)/0.0798,2))" /* REBURP power level */
"spoffs24=bf1*(cnst19/1000000)-o1" /* REBURP offset */
"spoal24=0.5"
/* 15N decoupling */
"p62=350u"
"plw26=plw3*(pow((p21/p62),2))" /* CPD power level */
"DELTA1=d21-p16-d16-p39*cnst39"
"DELTA2=p39*cnst39-de-4u"
"acqt0=de"
1 ze
d11 pl26:f3
2 10m do:f3
# ifdef OFFRES_PRESAT
30u fq=cnst21(bf hz):f1
d12 pl9:f1
TAU cw:f1 ph29
d13 do:f1
d12 pl1:f1
30u fq=0:f1
# else
TAU
# endif /*OFFRES_PRESAT*/
3 d12 pl3:f3
50u UNBLKGRAD
p16:gp2
d16
(p39:sp23 ph1):f1
p16:gp1
d16
# ifndef ONE_D
# ifdef LABEL_CN
(center (p40:sp24 ph2):f1 (p8:sp13 ph1):f2 (DELTA1 p21 ph3 d0 p21 ph4 DELTA1):f3 )
# else
(center (p40:sp24 ph2):f1 (DELTA1 p21 ph3 d0 p21 ph4 DELTA1):f3 )
# endif /*LABEL_CN*/
# else
(center (p40:sp24 ph2):f1 (DELTA1 p21 ph3 6u p21 ph4 DELTA1):f3 )
# endif /*ONE_D*/
DELTA2
p16:gp1
d16 pl26:f3
4u BLKGRAD
go=2 ph31 cpd3:f3
10m do:f3 mc #0 to 2
F1PH(ip3, id0)
exit
ph1=0
ph2=0
ph3=0 2
ph4=0 0 2 2
ph29=0
ph31=0 2 2 0
;p1 : f1 channel - 90 degree high power pulse
;pl3 : f3 channel - power level for pulse (default)
;pl26: f3 channel - power level for CPD/BB decoupling (low power)
;sp13: f2 channel - shaped pulse 180 degree (adiabatic)
;sp23: f1 channel - shaped pulse 120 degree (Pc9_4_120.1000)
;sp24: f1 channel - shaped pulse 180 degree (Reburp.1000)
;spnam23: Pc9_4_120.1000
;spnam24: Reburp.1000
;p8 : f2 channel - 180 degree shaped pulse for inversion (adiabatic)
;p16: homospoil/gradient pulse [1 msec]
;p21: f3 channel - 90 degree high power pulse
;p39: f1 channel - 120 degree shaped pulse for excitation
; Pc9_4_120.1000 (120o) (2325 us at 800 MHz)
;spnam23: Pc9_4_120.1000
;p40: f1 channel - 180 degree shaped pulse for refocussing
; Reburp.1000 (1700 us at 800 MHz)
;spnam24: Reburp.1000
;d0 : incremented delay (2D) = in0/2-p21*4/3.1415
;d1 : relaxation delay
;d11: delay for disk I/O [30 msec]
;d12: delay for power switching [20 usec]
;d16: delay for homospoil/gradient recovery
;d21 : 1/(2J)NH
;cnst4: = J(NH)
;cnst19: H(N) chemical shift (offset, in ppm) [8.2 ppm]
;cnst39: compensation of chemical shift evolution during p39
; Pc9_4_120.1000: 0.529
;inf1: 1/SW(N) = 2 * DW(N)
;in0: 1/ SW(N) = 2 * DW(N)
;nd0: 1
;NS: 2 * n
;DS: 16
;aq: <= 100 msec
;td1: number of experiments
;FnMODE: States-TPPI, TPPI, States or QSEC
;cpd3: decoupling according to sequence defined by cpdprg3: garp4.p62
;cpdprg3: garp4.p62
;pcpd3: f3 channel - 90 degree pulse for decoupling sequence
; use pulse of >= 350 usec
;use gradient ratio: gp 1 : gp 2
; 11 : 7
;for z-only gradients:
;gpz1: 11%
;gpz2: 7%
;use gradient files:
;gpnam1: SMSQ10.100
;gpnam2: SMSQ10.100
;preprocessor-flags-start
;LABEL_CN: for C-13 and N-15 labeled samples start experiment with
; option -DLABEL_CN (eda: ZGOPTNS)
;preprocessor-flags-end
;Processing
;PHC0(F1): 90
;PHC1(F1): -180
;FCOR(F1): 1
Changelog
- 2025-11-16 (e23a105b): rename pulse to duration for reference pulse consistency - chriswaudby
- 2025-11-16 (15d53f5b): update experiment filenames - chriswaudby
- 2025-11-16 (c78ec494): Update pulse sequence metadata and documentation - chriswaudby
- 2025-09-30 (1018f450): Add new sequences for 19F R1, R2, and perfect echo measurements; update schema fields and documentation - chriswaudby
- 2025-08-17 (61c8842d): Initial commit: NMR pulse sequence repository with documentation system - chriswaudby