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

0 0 20769
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...
Posted: robmanilo 1 Jan 04 '24 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 ...
Posted: 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...
Posted: Steven Graham 1 Nov 27 '19 at 07:46

Dropped cryoshims on magnet

0 0 2k
answers votes views
I encountered a problem with our 600 MHz NMR instrument. When acquiring the line shape sample, while spinning, the chlo...
Updated: Linette Bennie 1 Sep 17 '19 at 01:46

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

0 0 23949
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 ...
Posted: oxy 31 Aug 28 '19 at 01:42

How to know when a measurement finished?

0 0 13057
answers votes views
Dear all, I am writing an script to calculate experiment times on Bruker spectrometers (doing accounting on old machine...
Posted: oxy 31 Aug 26 '19 at 05:06

Bruker pulse program for PENDANT experiment

0 0 5k
answers votes views
Hi there, I am looking for the pulse program for the PENDANT experiment, for a Bruker Avance III spectrometer, has anyon...
Posted: AnneBaudouin 1 Aug 13 '18 at 07:05

Future Actions disabled in VnmrJ 3.2

0 0 3k
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...
Posted: 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? ...
Posted: sreenath K 1 / Updated: Zhang 1 Jun 27 '18 at 03:23

Lock Error Bruker Ascend 600

2 0 13709
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...
Posted: Patrick Seibert 1 / Updated: aaaeee 1 Apr 12 '18 at 12:50

Lock problem on Bruker Avance 600 MHz

1 0 8k
answers votes views
After a energy failure (cryoprobe started to warm up) I cannot establish lock (similar to http://qa.nmrwiki.org/question...
Posted: Fabio de Moraes 1 / Updated: aaaeee 1 Apr 12 '18 at 12:47

reconstruction/ run.local

0 0 4k
answers votes views
In the reconstruction part of NMRPipe processing, when I run the command './run.local' the message below appears in the ...
Posted: julianima 1 Apr 12 '18 at 11:56

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 ...
Posted: julianima 1 Apr 12 '18 at 11:52

LiF solid state nmr

0 0 4k
answers votes views
Does anyone know any literature on F19 solid state nmr studies of lithium fluoride LiF? Either in single crystal or powd...
Posted: forza 1 Mar 22 '18 at 08:34

Tune and decoupling problems Bruker Avance 300

0 0 11841
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...
Updated: gael58 1 Feb 22 '18 at 07:45

spinning problem on varian probe

2 0 14591
answers votes views
We are using a Varian300autoSW probe, which had previously worked well with no problems spinning samples. We had switche...
Posted: quinn best 1 / Updated: Miguel 1 Feb 09 '18 at 06:48

HSQC not working on BBI and NEO console

0 0 10222
answers votes views
Recently we exchanged our old consoles (Avance III and DRX) with the Bruker’s new NEO series. After the installation of ...
Posted: alina 1 Jan 29 '18 at 05:52

15N-NMR chemical shifts comparison

0 0 11064
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...
Posted: Bhanu 1 Jan 15 '18 at 10:45

shape pulse power

0 0 3k
answers votes views
can shape pulse power be in negative for example -1.98 for crp60comp.4 in dept-135 nmr experiment. ...
Posted: feroon 21 Dec 20 '17 at 09:51

13C-NMR with 31P coupling

0 0 11416
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 ...
Posted: Sabine Sun 1 Oct 21 '17 at 13:32

19F or 31P dosy

0 0 13860
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...
Posted: AnneBaudouin 1 Oct 17 '17 at 01:18

help understanding varian command

2 0 5k
answers votes views
can someone4 explain how the tssub command works. For example, for phi4[1] = {1} ; settable(t4, 1, phi4) ; what does...
Posted: kaustubh sinha 1 / Updated: Zhang 1 Sep 27 '17 at 03:23

NMR INTENSITY AND CONTACT TIME CP

1 0 11883
answers votes views
What is the shape of the graph between intensity and contact time for different spin rate in CP? ...
Posted: sreenath K 1 / Updated: Zhang 1 Sep 25 '17 at 21:36

lock, gradient shimming and acquisition in vnmrj

0 0 9k
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...
Updated: Zhang 1 Sep 24 '17 at 18:43

NMR saturation

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

Nuclei with quadrupolar moment, quadrupolar interaction, 23Na MRI

0 0 10762
answers votes views
Hello! I'd like to understand the application of quadrupolar effects in MRI. I read different materials on this topic b...
Posted: Philipp Barrett 1 Apr 01 '17 at 13:01

ROESY NMR in Bruker

1 0 9k
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....
Posted: visi 1 / Updated: Pete Gierth 401 Mar 30 '17 at 03:32

cp nmr graph for intensity vs contact time

0 0 11847
answers votes views
i got a sinusoidal graph for intensity vs contact time graph in CP.how can explain the theory behind this? ...
Posted: 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...
Updated: blue 1 Feb 28 '17 at 08:37

2D-STD experiment

0 0 5k
answers votes views
Can anybody provide parameter file for running 2 D STD 1H 13C HSQC on bruker 600 MHz instrument. ...
Posted: ASMA AZIEZ 1 Feb 24 '17 at 23:28

interleaved acquisitionon Bruker NMR

2 0 6k
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 ...
Posted: nmr1novice 1 / Updated: Debashish Sahu 1 Feb 16 '17 at 14:27

eightfold suppression of water and ethanol

0 0 5k
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, ...
Updated: 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...
Posted: 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...
Updated: 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...
Posted: Divine Demon 1 Dec 06 '16 at 04:05

Backbone assignment with NMRPipe

1 0 4k
answers votes views
Hi I'm new to nmrPipe and I have a question about where to start assigning the backbone resonances for a recombinant pro...
Posted: David Onofrei 3 / Updated: Woonghee 26 Nov 28 '16 at 16:37

How to implement receiver phase toggle in XWINNMR?

1 0 4k
answers votes views
How does one change the receiver phase DURING stroboscopic acquisition in XWINNMR? The "ipp" commands do not seem to wor...
Updated: 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. ...
Posted: visi 1 / Updated: Kirk Marat 711 Oct 26 '16 at 15:01

qNMR calculation

1 0 14181
answers votes views
I am currently working on the qNMR concentration of compounds X in commercial samples: The following is my scenario I...
Posted: KONG KA LING 1 / Updated: 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 ...
Posted: m 1 / Updated: Kirk Marat 711 Sep 28 '16 at 08:07

NMRLab or matNMR for 1D nmr spectra processing?

1 0 3k
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...
Posted: joanap 1 / Updated: 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...
Posted: _mtd_ 1 / Updated: 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...
Posted: satar 3 / Updated: Ulrich Haunz 210 Sep 19 '16 at 06:51

FILTERATION OF SAMPLE

1 0 4k
answers votes views
Hello all, can i filter sample by passing the sample through a cotton? I think may be some of compound in cotton dis...
Posted: satar 3 / Updated: Ulrich Haunz 210 Sep 12 '16 at 05:56

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...
Posted: Angus 1 / Updated: Kirk Marat 711 Sep 06 '16 at 11:30

What do -di and -verb do?

1 0 3k
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...
Posted: Lena 1 / Updated: 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 ...
Posted: AnnaLT 1 Aug 24 '16 at 22:32

unusual tyrosine cross peaks

3 1 5k
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...
Posted: Thomas Garner 81 / Updated: 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...
Posted: Gyro 1 / Updated: Jerry Hirschinger 199 Jul 21 '16 at 05:08

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

3 1 7k
answers votes views
Dear NMR Wiki'ers I am identifying aminoacid residues or assignment of protein from following 3D NMR experments HNCA...
Posted: sri 71 / Updated: Justin Frank 1 Jun 29 '16 at 19:53
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