2D Peak-Picking in Matlab?

1 1 6k
answers votes views
I've got some (phased) 2D spectra and I'd like to create an automated workflow to get a listing of the peak positions, i...
Posted: WaffleWaffle 11 / Updated: Amin os 43 Apr 13 '12 at 05:00

simpson and spinevolution

1 1 4k
answers votes views
Hi, I'm about to start to implement a front end to simpson, and perhaps spinevolution. I wonder if anyone here have some...
Posted: Dune Scientific 11 / Updated: Frey 61 Jun 06 '12 at 19:18

set up aromatics experiment in VNMRJ2.2

2 1 3k
answers votes views
Dear Sir, I am new to set up of aromatic assignment experiment. Can you please specify what parameters in VNMRJ 2.2 a...
Updated: Arun Gupta 11 Apr 05 '12 at 22:42

AMMRL meeting at ENC 2012

1 1 4k
answers votes views
Hello- Is there interest in posting information from the AMMRL meeting at this year's ENC on NMR Wiki? Maybe tweets or ...
Posted: Marc ter Horst 11 / Updated: Jerry Hirschinger 199 Apr 12 '12 at 13:15

edasp window for 1H/19F double resonance experiment

3 1 6k
answers votes views
Hello to all, This time I am having problem with doing a double resonance experiment. The final goal is to do 1H/19F-HO...
Posted: Amin os 43 / Updated: Kirk Marat 711 Jun 07 '12 at 13:54

Why do we turn off sample spinning when we do NOESY experiment?

2 1 6k
answers votes views
Why do we trun off sample spinning when we do NOESY experiment? ...
Posted: Kiu Chor Sham 11 / Updated: Evgeny Fadeev 5771 Jun 03 '12 at 17:23

selecting for side chains

2 1 3k
answers votes views
Does anyone know of literature pointing to NMR experiments that can select for say -CH3 groups attached to -CH2? ...
Posted: service email start 11 / Updated: Justin Frank 1 Jun 29 '16 at 19:22

help on creating a program similar to multizg?

2 1 6k
answers votes views
I am currently trying to write a program that is a lot like the multizg program in the Bruker software, Topspin but with...
Posted: Artjom Nepryahin 11 / Updated: John Hollerton 96 Dec 10 '12 at 10:05

33S NMR Experiment

1 1 5k
answers votes views
Dear Everyone I´d like to run 33S-NMR experiments using a Bruker NMR spectrometer at 400 MHz buy I nedd the pulse seque...
Posted: Juan_Carlos 11 / Updated: Pete Gierth 401 Jun 15 '12 at 07:53

Calibration of a Bruker NMR probe

3 1 7k
answers votes views
I've received a loaner probe from Bruker while ours is being repaired but I'm not getting any timely response on instruc...
Posted: Javaslinger 53 / Updated: Evgeny Fadeev 5771 Jun 21 '12 at 21:03

eretic standard sample

2 1 6k
answers votes views
I have recently set up the eretic sample concentration measurement experiment experiment on our AvanceIII instrument. ...
Posted: Matthew Revington 41 / Updated: John Hollerton 96 Dec 10 '12 at 08:53

t1 Increment delay

1 1 6k
answers votes views
Hello all, iam trying to key in the correct value for nd0 for a custom written pulse program. In doing so i ran into con...
Posted: Jana 31 / Updated: Clemens Anklin 416 Jun 30 '12 at 14:28

1H-119Sn HMBC or HMQC

0 1 1k
answers votes views
Dear experts, I want to run 1H-119Sn HMBC or HMQC, but I don't know the name of pulse program in Bruker. Do you know the...
Posted: Hamidreza Samouei 11 Jun 24 '12 at 03:14

Lock at high temperatures

2 1 7k
answers votes views
I am having trouble locking a sample of a polymer dissolved in OCDB at 135 degree's. Can this high temperature interfer...
Posted: Javaslinger 53 / Updated: Gareth Morris 71 Jul 08 '12 at 03:02

Integrating 13C spectra

4 1 10982
answers votes views
In a normal fully decoupled carbon experiment, can you integrate equivalent carbons? In other words , do all CH3's get ...
Posted: Javaslinger 53 / Updated: w101bdk 7 Jul 16 '12 at 09:49

How important is calibrating a 90degree pulse for 2D?

2 1 4k
answers votes views
So it is pretty much always recommended to calibrate the 90 for 1H for any 2D experiment... Cosy, Noesy, HSQC, etc... ...
Posted: Javaslinger 53 / Updated: Nikolay Boev 41 Jun 29 '12 at 09:04

Difficulties with wobbing.

4 1 5k
answers votes views
Hello, dear NMR-comrades! I work on Bruker AVANCE II 400 MHz NMR-spectrometer and today I had some troubles with wobbi...
Posted: Alexander Abakumov 11 / Updated: Jerry Hirschinger 199 Jul 16 '12 at 07:55

What will happen if I use long pulse?

7 1 11301
answers votes views
Hello everybody. We have an AVANCE 500 MHz bruker instrument. Unfortunately, our amplifier has been weakened and I can n...
Posted: He 21 / Updated: jkurutz 131 Jul 19 '12 at 06:24

Chemical shift evolution compensation for delays flanked by hard or soft pulses

0 1 1k
answers votes views
Hello all, In a typical 2D experiment, the delay "d0" (t1 increment delay in Bruker) is compensated for the chemical sh...
Posted: Jana 31 Aug 02 '12 at 10:33

multiple-quantum diffusion measurements

1 1 3k
answers votes views
Dear all, My first question here, I hope that someone can help! In a paper describing a method to measure diffusion us...
Updated: Daan 11 Sep 11 '12 at 00:34

Software for 2D Peak Deconvolution/Fitting

2 1 5k
answers votes views
Hello all, I have 1H-15N HSQC spectra that contain pairs of partially overlapped crosspeaks for which I need to extract...
Posted: ChemMJW 99 / Updated: delaglio 1361 Sep 14 '12 at 09:34

Data format of TopSpin-processed spectra

2 1 5k
answers votes views
Hi everyone I would like to write some code to read in spectra that were processed using TopSpin (Bruker), but so far I...
Updated: canavanin 17 Sep 27 '12 at 07:31

Long-range 1H-{15N} coupling (HMBC)

3 1 7k
answers votes views
Hello All I have two examples of what appears to be 6J coupling between 1H and 15N using gradient HMBC experiments with...
Posted: Craig 41 / Updated: Evgeny Fadeev 5771 Feb 16 '13 at 15:17

Varian VNMRJ 2.2D standard experiments

3 1 6k
answers votes views
Hey folks, I was wondering if anyone else has had any issues with the experiments/pulse sequences that came standard in ...
Posted: CaymanDave 11 / Updated: Bharathwaj 112 Nov 09 '12 at 08:16

Translating 31P NMR references

2 1 6k
answers votes views
Hello, I am trying to compare different 31P chemical shift data from a variety of literature sources. However, each of...
Posted: David Condon 11 / Updated: sekhar Talluri 621 Apr 06 '13 at 11:45

why we are seeing negative PREs in paramagnetic relaxation enhancement experiment?

0 1 2k
answers votes views
Hi NMR Wiki users, I'm using two point method(Marius Clore and Junji Iwahara methods) to measure the PREs, but in my ex...
Posted: Kris 11 Dec 11 '12 at 07:48

Lock 'lost' on Bruker 400MHz NMR

1 1 9k
answers votes views
I had just finished refilling the nitrogen and powering up the NMR after the holiday shutdown and went through the norma...
Posted: Norman Chu 11 / Updated: Roja 26 Jan 07 '13 at 16:11

sign up for NMR wiki

2 1 2k
answers votes views
Hi! I have a problem signing up at the NMR wiki. I am met with this screen. There is no user creation possibility. ...
Posted: Troels Linnet 21 / Updated: Evgeny Fadeev 5771 May 15 '13 at 18:21

How to interprete TALOS predictions

0 1 1k
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

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

Topspin 3.2.1 - 1D TOCSY in with differing mixing times

4 1 8k
answers votes views
Hello, I work a lot with compounds containing numerous carbohydrate groups. Therefore I use frequently 1D-TOCSY experim...
Posted: zablociak 21 / Updated: Alain Pagelot 1 Jun 10 '14 at 02:38

An accurate way to calibrate gradients?

1 0 7k
answers votes views
What is a good way to calibrate PFG? How do you prepare the most suitable sample for the calibration? ...
Posted: Evgeny Fadeev 5771 / Updated: Adolfo Botana 91 Jul 01 '09 at 09:35

How to set up 15N direct detection on UnityInova?

3 0 8k
answers votes views
Has anyone recorded directly detected 15N spectra on UnityInova? We have a triple resonance HCN probe. The sample I've u...
Posted: Evgeny Fadeev 5771 / Updated: Andrew Fowler 96 Jul 30 '10 at 06:01

How do you prepare images for poster size prints of NMR spectra?

1 0 5k
answers votes views
What is a good method to make quality plots of 2D and 1D NMR spectra of very large size? - e.g. for posters. ...
Posted: Evgeny Fadeev 5771 / Updated: krestenb 16 Jul 08 '09 at 09:42

Tool to extract NMR data in XY text file format?

6 0 20818
answers votes views
I need to give NMR data to someone who has only spreadsheet software to prepare plots of data and she also wants to fit ...
Posted: Evgeny Fadeev 5771 / Updated: Michael 1 Aug 19 '14 at 05:17

How to set up EPR measurement at elevated temperatures?

0 0 3k
answers votes views
What setup do you use to measure EPR at temperatures above room temperature? We have a Bruker EMX500 instrument and we...
Updated: Evgeny Fadeev 5771 Apr 14 '10 at 16:28

NMR of proteins

3 0 6k
answers votes views
I need informations about nuclear magnetic resonance of proteins with figures. ...
Posted: f_tahoori 6 / Updated: Justin Frank 1 Jun 27 '16 at 20:47

vnmr shapelib and wavelib directories - why there are two?

1 0 6k
answers votes views
these two directories seem to contain same kind of files, I'm curious why there are two instead of just one? Thanks. ...
Posted: Evgeny Fadeev 5771 / Updated: georgeg 301 Dec 10 '09 at 13:39

Natrual line-width of 1H, 13C, 15N, 31P nuclei in biomolecules.

0 0 3k
answers votes views
What are typical magnitudes in Hertz of resonance line width of proton, carbon-13, nitrogen-15 and phosphorus-31 in biol...
Updated: Evgeny Fadeev 5771 Nov 26 '09 at 12:01

How well should one shim for solution Bio-NMR?

1 0 5k
answers votes views
Hello, I am aware that field inhomogeniety will impact performance of multi-pulse experiments but by how much? Say I h...
Posted: Evgeny Fadeev 5771 / Updated: sekhar Talluri 621 Feb 11 '10 at 09:01

How to process gNhsqc_IPAP.c data with nmrPipe?

2 0 12758
answers votes views
Hello, I know that this problem has been discussed a number of times on the nmrPipe newsgroup and there are some helpfu...
Updated: Evgeny Fadeev 5771 Mar 03 '10 at 13:11

Vertically separate stacked plot of 1D spectra in MNova

1 0 6k
answers votes views
hey, I found that it's quite easy to make plots of NMR spectra with MNova! I've tried a stacked plot feature for a bunc...
Posted: Magnethead 42 / Updated: Mestrelab 56 Dec 14 '09 at 00:25

What is the optimal sample length with Shigemi tubes?

2 0 7k
answers votes views
Our coil area length is 16 mm. Should we be making samples exactly 16 mm long in the Shigemi tubes for the best sensitiv...
Posted: Evgeny Fadeev 5771 / Updated: Charlie Fry 91 Aug 15 '10 at 14:03

How to use network analyzer or oscilloscope to tune and match NMR probe?

1 0 10574
answers votes views
Hello, could someone share directions on how to tune and match NMR probe RF circuit using a network analyzer? We have a ...
Posted: Evgeny Fadeev 5771 / Updated: Kirk Marat 711 Jan 14 '10 at 11:51

How to set NOESY mixing time in intermediate tumbling regime

1 0 8k
answers votes views
I need to run noesy for a monomeric peptide of about 1.5kDa at 800 MHz 1H frequency. NOE peaks are weak at 100 ms mixing...
Posted: Evgeny Fadeev 5771 / Updated: sekhar Talluri 621 Feb 13 '10 at 12:00

Using probe that started losing B1 strength or has longer 90 degree pulse

1 0 5k
answers votes views
I've found that one of our probes lost ~1.5-2 dB of power on 13C, but nutation curve looks OK. There are no random spike...
Posted: Evgeny Fadeev 5771 / Updated: Joseph DiVerdi 146 Apr 19 '10 at 18:07

Absorption of RF energy quantum and change of the nucleus spin state

1 0 8k
answers votes views
Is a quantum of energy such as that in transverse RF field produced by NMR probe absorbed instantaneously by a single nu...
Updated: Evgeny Fadeev 5771 Jan 26 '10 at 13:42

How do modern pulse sequences battle radiation damping?

1 0 5k
answers votes views
What techniques are used in the modern pulse sequences to reduce radiation damping issues? Could you give some examples...
Posted: Evgeny Fadeev 5771 / Updated: sekhar Talluri 621 Feb 11 '10 at 10:00

How to display NMR structure of molecule with non-standard residues?

1 0 11588
answers votes views
... solving a structure of a cyclic peptide with Ornithine residue, where Orn side-chain participates in an amide bond. ...
Updated: Evgeny Fadeev 5771 Feb 02 '10 at 08:59

Is it possible to record EPR in THF (tetrahydrofuran) at -78C ?

0 0 6k
answers votes views
We've tried to measure an EPR spectrum of something in THF at -78C and could not tune the cavity on our Bruker EMX500 sp...
Updated: Evgeny Fadeev 5771 Feb 12 '10 at 15:52
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