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

0 0 5k
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 at 10:34

Oxford 800 MHz replaced

0 0 2k
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

0 0 2k
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 1k
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 22279
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 7k
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 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...
Posted: 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...
Posted: Zhang 1 Jun 27 '18 at 03:30

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 ...
Posted: 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 ...
Posted: 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...
Posted: forza 1 Mar 22 '18 at 08:34

Tune and decoupling problems Bruker Avance 300

0 0 11085
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

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 ...
Posted: alina 1 Jan 29 '18 at 05:52

15N-NMR chemical shifts comparison

0 0 10278
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 2k
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 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 ...
Posted: Sabine Sun 1 Oct 21 '17 at 13:32

19F or 31P dosy

0 0 13019
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

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

NMR saturation

0 0 13632
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 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...
Posted: Philipp Barrett 1 Apr 01 '17 at 13:01

NMR INTENSITY AND CONTACT TIME CP

1 0 10466
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

dipolar coupling in nmr

1 0 5k
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

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? ...
Posted: sreenath K 1 Mar 21 '17 at 22:06

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. ...
Posted: ASMA AZIEZ 1 Feb 24 '17 at 23:28

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

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

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, ...
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

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

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...
Posted: kaustubh sinha 1 / Updated: Zhang 1 Sep 27 '17 at 03:23

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

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

Backbone assignment with NMRPipe

1 0 3k
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 3k
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

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...
Posted: Fabio de Moraes 1 / Updated: aaaeee 1 Apr 12 '18 at 12:47

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 12955
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

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 3k
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

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

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...
Posted: Lena 1 / Updated: Kirk Marat 711 Sep 06 '16 at 11:23

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

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

When to use 'BLKGRAD' and 'UNBLKGRAD' in a bruker pulse sequence ?

1 0 5k
answers votes views
I'm trying to modify some pulse sequence on bruker 400, and is confused with the use of 'blkgrad' and 'unblkgrad'; and ,...
Posted: Yuan yaping 1 / Updated: Kirk Marat 711 Jun 14 '16 at 11:44

Difference between H 50 W and X 100 W Amplifiers

2 0 3k
answers votes views
We have been trying to get a 2D H-F experiment to work using the X 100 W amplifier on our Bruker NMR, but can't get it t...
Posted: ysuh 1 / Updated: Kirk Marat 711 Jun 14 '16 at 11:55

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

method validation in nmr

1 0 2k
answers votes views
please tell me whether there are method validation in nmr ...
Posted: harish ravuri 1 / Updated: Ulrich Haunz 210 May 04 '16 at 01:31

Shimming for liquid stateNMR

1 0 2k
answers votes views
Dear All, What should be the intesnities of spinning sides bands in liquid state NMR?. THank YOu ...
Posted: Mani 1 / Updated: Clemens Anklin 416 Nov 27 '15 at 11:26

Amplitude problems when comparing 'popt' experiments in Bruker (Topspin)

0 0 8k
answers votes views
Hi all, My question is about the Multiple Display (.md) function on TopSpin (Bruker AVIII). I did some 'popt' ( paramete...
Posted: TiagoB1 1 Nov 11 '15 at 03:40
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