Unanswered questions

Is there a difference between NIST data and HF calculations, on 3d and 4s in neutral scandium?

0 0 7k
answers votes views
I have this difficult question that has stumped almost any physicist or chemist i've asked.. so i'm asking you guys, spe...
robmanilo 1 Jan 04 at 10:34

Oxford 800 MHz replaced

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answers votes views
Dear all, Early next year we are about to exchange a Oxford 800 MHz NMR for a Bruker 950 MHz. At the moment we are not ...
Ruud70 1 Nov 16 '20 at 06:20

Zero filling

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answers votes views
My group seeks highly accurate 3J 1H-1H coupling constants. After an extensive literature search, I see conflicting sta...
Steven Graham 1 Nov 27 '19 at 07:46

Dropped cryoshims on magnet

0 0 1k
answers votes views
I encountered a problem with our 600 MHz NMR instrument. When acquiring the line shape sample, while spinning, the chlo...
Linette Bennie 1 Sep 17 '19 at 01:46

can I have Topspin/XWIN-NMR run a paralell cmd on every `zg`?

0 0 22351
answers votes views
Hi, I wanna Brukers TopSpin/XWIN-NMR to log the start and end times of every experiment. With this information I can ...
oxy 31 Aug 28 '19 at 01:42

How to know when a measurement finished?

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answers votes views
Dear all, I am writing an script to calculate experiment times on Bruker spectrometers (doing accounting on old machine...
oxy 31 Aug 26 '19 at 05:06

Bruker pulse program for PENDANT experiment

0 0 4k
answers votes views
Hi there, I am looking for the pulse program for the PENDANT experiment, for a Bruker Avance III spectrometer, has anyon...
AnneBaudouin 1 Aug 13 '18 at 07:05

Future Actions disabled in VnmrJ 3.2

0 0 2k
answers votes views
Does anyone notice that the Future actions (wbs,wnt,et al) won't work in VnmrJ 3.2? In previous version VnmrJ, the wbs/w...
Zhang 1 Jun 27 '18 at 03:30

dipolar coupling in nmr

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answers votes views
how can i understand the effect of dipolar coupling in cp spectrum? ...
Zhang 1 Jun 27 '18 at 03:23

Lock Error Bruker Ascend 600

2 0 11217
answers votes views
Hi there, We had a short power failure yesterday and since my boss is in Ireland and our other so called NMR guru does...
aaaeee 1 Apr 12 '18 at 12:50

Lock problem on Bruker Avance 600 MHz

1 0 6k
answers votes views
After a energy failure (cryoprobe started to warm up) I cannot establish lock (similar to http://qa.nmrwiki.org/question...
aaaeee 1 Apr 12 '18 at 12:47

reconstruction/ run.local

0 0 3k
answers votes views
In the reconstruction part of NMRPipe processing, when I run the command './run.local' the message below appears in the ...
julianima 1 Apr 12 '18 at 11:56

reconstruction/ run.local

0 0 2k
answers votes views
In the reconstruction part of NMRPipe processing, when I run the command './run.local' the message below appears in the ...
julianima 1 Apr 12 '18 at 11:52

LiF solid state nmr

0 0 2k
answers votes views
Does anyone know any literature on F19 solid state nmr studies of lithium fluoride LiF? Either in single crystal or powd...
forza 1 Mar 22 '18 at 08:34

Tune and decoupling problems Bruker Avance 300

0 0 11103
answers votes views
Hello everyone, I had to change a BVT3300 module in a Bruker Avance 300 console today. Everytihing went fine and the mo...
gael58 1 Feb 22 '18 at 07:45

spinning problem on varian probe

2 0 12406
answers votes views
We are using a Varian300autoSW probe, which had previously worked well with no problems spinning samples. We had switche...
Miguel 1 Feb 09 '18 at 06:48

HSQC not working on BBI and NEO console

0 0 9k
answers votes views
Recently we exchanged our old consoles (Avance III and DRX) with the Bruker’s new NEO series. After the installation of ...
alina 1 Jan 29 '18 at 05:52

15N-NMR chemical shifts comparison

0 0 10305
answers votes views
I have a set of molecules with similar structure. The 1H-15N HMBC spectra of two of these molecules were taken in DMSO-d...
Bhanu 1 Jan 15 '18 at 10:45

shape pulse power

0 0 2k
answers votes views
can shape pulse power be in negative for example -1.98 for crp60comp.4 in dept-135 nmr experiment. ...
feroon 21 Dec 20 '17 at 09:51

13C-NMR with 31P coupling

0 0 9k
answers votes views
Hello, I am the first time confronted with a 13C-NMR, in which a coupling between the 13C and 31-P cores takes place. I ...
Sabine Sun 1 Oct 21 '17 at 13:32

19F or 31P dosy

0 0 13048
answers votes views
Hi, I have run 19F and 31P dosy using ledbpgg2s program from Bruker, I obtain good decreasing curves as expected, with u...
AnneBaudouin 1 Oct 17 '17 at 01:18

help understanding varian command

2 0 4k
answers votes views
can someone4 explain how the tssub command works. For example, for phi4[1] = {1} ; settable(t4, 1, phi4) ; what does...
Zhang 1 Sep 27 '17 at 03:23

NMR INTENSITY AND CONTACT TIME CP

1 0 10529
answers votes views
What is the shape of the graph between intensity and contact time for different spin rate in CP? ...
Zhang 1 Sep 25 '17 at 21:36

lock, gradient shimming and acquisition in vnmrj

0 0 8k
answers votes views
Dear all, I want to write a macro that run lock, gradient shimming and acquisition in VnmrJ. I tried two ways, but fail...
Zhang 1 Sep 24 '17 at 18:43

NMR saturation

0 0 13660
answers votes views
My doubts are about NMR saturation. Saturation is caused by a continued impulse and cause the equalization in spin popol...
Youlsea 1 Aug 29 '17 at 08:11

Nuclei with quadrupolar moment, quadrupolar interaction, 23Na MRI

0 0 9k
answers votes views
Hello! I'd like to understand the application of quadrupolar effects in MRI. I read different materials on this topic b...
Philipp Barrett 1 Apr 01 '17 at 13:01

ROESY NMR in Bruker

1 0 7k
answers votes views
Since ROESY uses a cw spin-lock, is it safe to set up a mixing time of 500ms? If I want a roesy spin-lock strength of 2....
Pete Gierth 401 Mar 30 '17 at 03:32

cp nmr graph for intensity vs contact time

0 0 7k
answers votes views
i got a sinusoidal graph for intensity vs contact time graph in CP.how can explain the theory behind this? ...
sreenath K 1 Mar 21 '17 at 22:06

Why SR(F1) in hcchtocsy and h(cc)(co)nh?

0 0 8k
answers votes views
Hi,All, I wonder if somebody can tell me why in these two experiments( also hbha(co)nh,I think) in Bruker(not sure if yo...
blue 1 Feb 28 '17 at 08:37

2D-STD experiment

0 0 4k
answers votes views
Can anybody provide parameter file for running 2 D STD 1H 13C HSQC on bruker 600 MHz instrument. ...
ASMA AZIEZ 1 Feb 24 '17 at 23:28

interleaved acquisitionon Bruker NMR

2 0 5k
answers votes views
Our group just transfered from Varian to Bruker NMR, and we have a problem. Since my sample is unstable, when thereis a ...
Debashish Sahu 1 Feb 16 '17 at 14:27

eightfold suppression of water and ethanol

0 0 4k
answers votes views
Hi, I'm trying to perform an NOESYGPPS 1D 1H NMR experiment to suppress water and the ethanol signals in a wine sample, ...
Calin Floare 1 Feb 06 '17 at 05:15

Why is the T1 relaxation time of protons shorter than for other nuclei?

0 0 5k
answers votes views
So I think this could be asked in my oral exam. Why are the T1 relaxation times in NMR spectroscopy shorter than those o...
NMR Dummy 1 Jan 25 '17 at 09:56

Protein Backbone assignment

1 0 4k
answers votes views
There are many Software Tools available for that purpose. What are the problems there (if there are some)? Do you think...
FAS 1 Dec 08 '16 at 07:53

Effect of components of B1 field

0 0 2k
answers votes views
Considering the B0 field is along Z direction if and B1 is applied in the XY plane. What will be the effect on SNR of an...
Divine Demon 1 Dec 06 '16 at 04:05

How to implement receiver phase toggle in XWINNMR?

1 0 3k
answers votes views
How does one change the receiver phase DURING stroboscopic acquisition in XWINNMR? The "ipp" commands do not seem to wor...
forza 1 Nov 10 '16 at 10:22

NOE and strength of dipolar coupling

1 0 3k
answers votes views
Is NOE observed even if molecular motion averages out the dipolar coupling between two spins. ...
Kirk Marat 711 Oct 26 '16 at 15:01

qNMR calculation

1 0 13032
answers votes views
I am currently working on the qNMR concentration of compounds X in commercial samples: The following is my scenario I...
Ulrich Haunz 210 Oct 13 '16 at 06:38

2rr to ASCII

2 0 3k
answers votes views
Hi All, I was wondering if there is a simple way for converting 2rr to ASCII format (with Origin?). I don't know if my ...
Kirk Marat 711 Sep 28 '16 at 08:07

NMRLab or matNMR for 1D nmr spectra processing?

1 0 2k
answers votes views
Hi, I used to use spinworks to process simple 1D NMR (because it was easy and I didn't felt like paying for topspin). B...
Kirk Marat 711 Sep 27 '16 at 07:21

Vnmr spectrum file

1 0 3k
answers votes views
Hi, I am working on software for NMR assignment and one of the options to implement is import Varian spectra into our ap...
Ulrich Haunz 210 Sep 19 '16 at 06:59

unresolved signals

0 0 2k
answers votes views
Hi all We know that H NMR of paramagnetic sample or complex, is very broad with a bad signal to noise ratio. Do you...
Ulrich Haunz 210 Sep 19 '16 at 06:51

HNCO projection of the 1H-15N plane

1 0 2k
answers votes views
Dear all, If I make the projection of the 1H -15N plane from the HNCO and compare it to the HSQC of the same sample, the...
Kirk Marat 711 Sep 06 '16 at 11:30

What do -di and -verb do?

1 0 2k
answers votes views
Hi all, New to NMRPipe. I'm trying to understand what the arguments -di and -verb to, e.g. in |nmrPipe -fn PS -p0 66.0...
Kirk Marat 711 Sep 06 '16 at 11:23

2D-NOESY for macromolecules

0 0 2k
answers votes views
Hi, NOESY is very interesting method bet I have a problem. We are working with polymethacryles (MW about 20 000-30 000 ...
AnnaLT 1 Aug 24 '16 at 22:32

unusual tyrosine cross peaks

3 1 4k
answers votes views
Hi I am observing some unexpected cross peaks in some homonuclear protein data and I was wanting to know if anyone had a...
james han 1 Aug 01 '16 at 21:28

Relaxation rate of bulk (pure) water at high frequencies

1 0 3k
answers votes views
Hi all, Does anyone know if NMR relaxation rates of bulk (pure) water has been measured experimentally at several hundr...
Jerry Hirschinger 199 Jul 21 '16 at 05:08

Aminoacid residue identification or assignment of protein from 3D NMR Experments

3 1 6k
answers votes views
Dear NMR Wiki'ers I am identifying aminoacid residues or assignment of protein from following 3D NMR experments HNCA...
Justin Frank 1 Jun 29 '16 at 19:53

c13 edit noesy phasing problem

3 1 5k
answers votes views
Dear NMR Wiki'ers I Have acquired c13-edit noesy experiment on 700vnmr for my target protein (20kd) with mixing time of...
Justin Frank 1 Jun 29 '16 at 19:48

Data processing and Sparky

2 0 5k
answers votes views
Dear NMRWikiers, I'm fresh in nmr field and would like to ask couple questions: 1. Our protein has about 132 residues.Th...
Justin Frank 1 Jun 29 '16 at 19:44
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