Unanswered questions

Running a 13C{19F} spectrum on a Bruker Instrument?

1 0 7k
answers votes views
My apologies in advance for the very "beginner" nature of my question : ) We are interested in examining a carbon spect...
Posted: nmrbeginner 1 / Updated: Charlie Fry 91 Jan 23 '14 at 07:32

how to read a file generated by SPARTA+

0 0 5k
answers votes views
i want to ask how to analyze a pred. file generated as a result of running SPARTA+ shift prediction software . ...
Posted: prashantiitb 1 Jan 20 '14 at 04:34

2D ROESY-NMR with ~0 peak intensity

1 0 3k
answers votes views
I have been trying to elucidate the 3D structure of oxidized glutathione (M.Wt= 612.63 g/mol) with the help of roesy dis...
Posted: Raj 1 / Updated: marcs 11 Jan 20 '14 at 22:46

Topspin 3.2.5 queue experiment

3 0 10099
answers votes views
Does anyone know how to make Topspin to queue experiments? In my recently installed Topspin somehow the queue function i...
Posted: shark 1 / Updated: Arkadiusz Leniak 238 Jun 05 '14 at 05:07

spin lock 1H spectrum

2 0 4k
answers votes views
Please, if somebody wants to help me?! I need to get 1H spectrum with spin lock pulse on Bruker AV 600 instrument. Which...
Updated: gugica 1 Jan 17 '14 at 05:06

using chenomx and missing peaks

1 0 3k
answers votes views
hello, I am trying to identify and quantify of metabolites present in semen with spectra obtained from 400 MHz NMR using...
Posted: Reza mohammadi 1 / Updated: Ulrich Haunz 210 Feb 10 '14 at 01:36

residual dipolar coupling

1 0 3k
answers votes views
Hi, which aminoacid is best for calibrating acrylamide gel percentage for RDC? ...
Posted: shine a 1 / Updated: dejian 11 Dec 29 '13 at 13:53

can topspin 3.2 window version open broker fid file?

3 0 4k
answers votes views
I installed the Topspin 3.2 pl 3 on windows 7, but when I am trying to open my NMR data it can only show process data fi...
Posted: shark 1 / Updated: John Hollerton 96 Jan 23 '14 at 09:36

1-2 yrs funding to complete Ph.D. in Chemistry (Ionophores NMR Molecular Modelling)

0 0 6k
answers votes views
Looking for 1-2 yrs funding to complete my Ph.D. in Chemistry. Thesis: 'A Study of Conformational Analysis and Molecular...
Posted: craigofw 1 Dec 18 '13 at 08:15

error while running humpcal

1 0 5k
answers votes views
Dear all, My new avance 400 is driving me crazy at the moment ! Shims are awful although I tried the topshim 3D on sucro...
Updated: univp5 1 Dec 20 '13 at 02:44

How to calibrate pulse length for urine samples?

2 0 6k
answers votes views
I recently read an article about executing a WET sequence for water suppression in urine samples. The 90°excitation puls...
Updated: brighman 1 Dec 26 '13 at 18:10

"Satellite" peaks in polypeptide HSQC

1 0 4k
answers votes views
In the decoupled HSQC of a polypetide I see two small peaks right and left to the delta arginine signal. These peaks hav...
Posted: PQdotL 21 / Updated: Pete Gierth 401 Nov 29 '13 at 00:45

PHIP experiments

0 0 1k
answers votes views
Dear all! I am struggling with some density matrices in PHIP experiments. I understand why the density matrix before hyd...
Posted: Elina Lisitsin 1 Nov 28 '13 at 02:41

How to exactly set integral start and end in VNMRJ

0 0 1k
answers votes views
One can roughly set the integral start and end by left clicking in the spectra. Is there a command which let you type in...
Posted: de xiao 11 Nov 27 '13 at 07:58

How can I tell if and what kind of solvent suppression was used?

2 0 5k
answers votes views
I have some older 2D HSQC 1H-15N data that was run by a NMR tech. Is there a way I can tell what kind of solvent suppre...
Posted: BrianW 1 / Updated: uabnmr1 1 Feb 26 '14 at 07:11

Streaks in RDC Gel Spectrum

2 0 8k
answers votes views
Hello all, I have used stretched polyacrylamide gels successfully many times to collect RDC data for proteins. The las...
Updated: ChemMJW 99 Dec 06 '13 at 19:10

how to get a 1H-15N HMBC spectroscopy

4 0 12593
answers votes views
hi All, I run a 1H-15N HMBC experiment on a Bruker AVANCE III 600 MHz spectrometer. But I fail to get the long- range ...
Posted: nmrqibebt 1 / Updated: Kirk Marat 711 Dec 09 '13 at 07:48

why prefer using Nitrogen NMR than carbon and hydrogen NMR

1 0 3k
answers votes views
Hi, I am new in NMR. Can someone please answer me why prefer N-NMR but not C and H -NMR? Thanks ...
Posted: Rimond john 1 / Updated: de xiao 11 Nov 18 '13 at 07:50

How to convert inversion recovery data acquired using Spinsight

0 0 3k
answers votes views
Hi, I do not know how to convert a data set acquired using Spinsight into a format that can be read by Topspin. The d...
Posted: mike 1 Nov 14 '13 at 14:00

NMR of compounds containing iron

1 0 4k
answers votes views
Are there any problems with doing proton NMR of a compound containing iron? ...
Updated: Debbie 1 Nov 15 '13 at 10:43

31P signal at negative 74 ppm

2 0 8k
answers votes views
Hello All Does anyone have any ideas on what might give a phosphorus signal at negative 74 ppm (cf phosphoric acid)? T...
Updated: Craig 41 Nov 19 '13 at 05:11

Capillary vs bulk solvent chemical shift difference

1 0 8k
answers votes views
I have prepared a sealed DMSO-d6 capillary tube (3mmOD) to use as an internal reference for an undergraduate prac using ...
Posted: Victoria Bitter 11 / Updated: SankarampadiAravamudhan 91 Apr 25 '14 at 16:59

MAS spin counting

5 0 4k
answers votes views
Hi, We have a Bruker MAS probe (4mm, late 90s vintage, widebore) that reports a spin speed twice what it is actually doi...
Posted: Kate Nairn 11 / Updated: w101bdk 7 Nov 13 '13 at 10:22

Relative quantification (residual solvents)

2 0 36051
answers votes views
Hi All, I've been trying to get a clear answer to this question for a while now, but can't seem to get a definitive ...
Posted: organicadam 1 / Updated: John Hollerton 96 Dec 09 '13 at 09:37

how to do peak picking manually in VNMRJ

1 0 3k
answers votes views
I known how to pick peaks automatically. But it always omits some small peaks and picks some noise as peaks. Is there an...
Posted: de xiao 11 / Updated: dejian 11 Dec 12 '13 at 08:20

hsqc referencing

2 0 5k
answers votes views
Hi! I need to know how to reference nitrogen 15 from proton in a foldel hsqc experiment...I don't know how to calculate ...
Posted: silvia castro 1 / Updated: sekhar Talluri 621 Nov 01 '13 at 17:46

relaxation

2 0 5k
answers votes views
how T1 and T2 relaxation time depend on nmr signal? ...
Posted: shine a 1 / Updated: w101bdk 7 Oct 29 '13 at 07:39

Individually phase pseudo-2d DOSY spectra?

2 0 6k
answers votes views
Hello, I have a DOSY data set in TopSpin and I'd like to extract diffusion coefficients for two small peaks in the spec...
Posted: DBritt 1 / Updated: Ignacio Pérez-Victoria 1 Oct 29 '13 at 01:47

problem in opeining processed vnmr file into sparky

1 0 3k
answers votes views
hello everyone I have a problem in opening vnmr file into sparky. i have converted vnmr file into ucsf, when this file ...
Updated: surendra gupta 1 Oct 22 '13 at 00:02

Selectively coupled 13C NMR

3 0 9k
answers votes views
Is it possible to run a 13C spectra in which one carbon is coupled (with 1H) and remaining carbons are decoupled, using ...
Posted: praveen 1 / Updated: sekhar Talluri 621 Oct 27 '13 at 04:20

Best way to make a 2D figure

2 0 6k
answers votes views
Hi all, I need to make a figure containing a 2D NMR spectrum for a paper. Has anyone figured out a good way to do this...
Posted: wilsonmv 1 / Updated: John Hollerton 96 Dec 09 '13 at 09:44

How to recover from quenched or dried magnet?

4 0 23132
answers votes views
We have got a donated AQR/p with Spectrospin 300 magnet and there is no helium inside. It was sitting in the warehouse f...
Posted: agoo 1 / Updated: Jerry Hirschinger 199 Oct 04 '13 at 09:58

Macro available that can determine the standard deviation of the spectral noise for a many similar 2D spectra

0 0 2k
answers votes views
Hi ! I need a macro that can determine the standard deviation of the spectral noise for a many similar 2D spectra. I h...
Posted: Troels E. Linnet 1 Sep 16 '13 at 05:13

1D NOESY with selective excitation and water suppression

2 0 11178
answers votes views
Hi, I am trying to collect 1D NOESY spectrum of a small protein in 90% H2O with selective excitation so I could follow ...
Posted: slawojek 1 / Updated: kyleabeauchamp 1 Mar 06 '14 at 15:37

topshim error: wait for event... timeout after 20 sec

2 0 6k
answers votes views
I use a Bruker Avance 400 III, when using topshim command the following error appear: 'wait for event-acquisition runnin...
Posted: smithnany 1 / Updated: ehaapani 1 Oct 07 '13 at 22:13

simulation software for small molecules, liquids

2 0 4k
answers votes views
Hi all, i'd like to hear some experiences you folks had on this theme. I wanna by a program for that. Just googling for...
Posted: fid 139 / Updated: ehaapani 1 Oct 07 '13 at 01:11

g03defaults in gaussian 09

0 0 3k
answers votes views
Hi, I am using gaussian 09 to simulate proton NMR and I am comparing my results with the ones published here: Atieh, Z...
Posted: LFF 1 Aug 16 '13 at 04:09

proton decoupled of 14N

2 0 6k
answers votes views
Hi everyone, Has someone tried to run proton decoupled of 14N? How long should be the 14N decoupling pulse? I had some ...
Posted: alina 1 / Updated: Tony Bielecki 131 Aug 09 '13 at 05:55

Gradient settings in an experiment

2 0 7k
answers votes views
how do we decide on power levels and lengths of purge gradients in a new experiment?...As for coherence selection, relat...
Updated: nmr2rmn 3 Aug 09 '13 at 14:58

2D 103Rh frequency wrong

1 0 4k
answers votes views
I have run a 1H-103Rh HMQC on [Rh(acac)(cod)] and found the chemical shift of the 103Rh to be -7023 ppm. The frequency ...
Updated: Linette Bennie 1 Aug 13 '13 at 05:29

Help solving a spectrum!

2 0 4k
answers votes views
Can someone please help me solve an nmr problem? I've tried a lot but can't get it. Please post ur email and i'll send y...
Posted: Lyra 1 / Updated: vaclavrimal 11 Aug 08 '13 at 04:44

The echo trajectory for spin 3/2

0 1 1k
answers votes views
For spin ½ The echo trajectory M(t ) fits well to the function : M (t) =M0 * EXP (-t/T) * COS (pi * j * t) (t: sp...
Updated: ghNMR 11 Jul 26 '13 at 08:36

S/N increases then decreases in 2D HMBC-type experiment

2 0 4k
answers votes views
Hello All Does anyone have any ideas on why the S/N would increase and then degrade during an HMBC-style experiment? I...
Posted: Craig 41 / Updated: Scott Robson 156 Aug 02 '13 at 08:42

Reset F1 axis (Bruker)

1 0 4k
answers votes views
Hi all, I have a 2D Bruker dataset that took a while to acquire, so I'd rather not simply repeat it. However, it seems...
Updated: wilsonmv 1 Aug 11 '13 at 22:12

spinner .... stuck

1 0 13411
answers votes views
Dear Colleagues: I've varian nmr 300, and i've a problem with the spinner that doesn't eject, it stucked like it is froz...
Posted: Eyad omari 1 / Updated: Jerry Hirschinger 199 Jul 22 '13 at 08:35

Processing varian 2D data done with a 3D pulse sequence

2 0 4k
answers votes views
Hello all, I am working with a varian spectrometer and did a 2D experiment with a 3D pulse sequence and I need help with...
Updated: PBjang 1 Jul 17 '13 at 01:39

NMR Vs X ray crystal data not matching each other

2 0 4k
answers votes views
I had a very weird situation where my compound shows double bond between carbons in NMR but shows it as single bond in x...
Posted: shanku 1 / Updated: John Hollerton 96 Dec 09 '13 at 09:57

Strange peak distortions but that of water

2 0 5k
answers votes views
Hy everyone, I'm having a strange problem when reading the NMR spectrum of a small aromatic molecule in deuterium oxide:...
Updated: Ruggero 3 Jul 15 '13 at 03:22

How to interprete TALOS predictions

0 1 2k
answers votes views
Dear all, Although my first question, remained unanswered, I still stay optimistic hoping this one will find its way t...
Posted: Yar 13 Jul 02 '13 at 08:49

35Cl NMR spectra

3 0 7k
answers votes views
Hi, I am new here! I am working on Bruker 600 MHz over 10 years, but now I have problem to get 35Cl NMR spectrum. I use...
Posted: gugica 1 / Updated: Tony Bielecki 131 Jul 10 '13 at 07:32
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