Unanswered questions

What software can copy peak assignments for 2D T1 and T2 relaxation rate data analysis?

8 1 341
answers votes views
Hello, I'm currently processing a large amount of T1 and T2 spectra in NMRDraw. I've been looking for a way to copy my ...
Posted: ccantr10 11 / Updated: GC 1 yesterday

Tool to extract NMR data in XY text file format?

5 0 1k
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 2831 / Updated: kiscs kiscs 21 May 17 at 17:14

1H-31P Hetcore with Varian inova 500, How can it be possible?

4 2 1k
answers votes views
I use a varian inova 500 NMR machine. it has vnmrj 2.1B software. An auto-x pfg 500 Mhz probe and auto tuning unit also....
Posted: oksijen 26 / Updated: Ulrich Haunz 11 Apr 27 at 00:34

14N solid state NMR

4 1 738
answers votes views
I would like to run some solid state 14N NMR spectra, but I have never run experiment on integer spins in the solid stat...
Posted: Anne Baudouin 16 / Updated: Joseph DiVerdi 136 May 31 at 06:29

For the RDC analysis - how to tell when the sample is acceptable/useful?

4 1 563
answers votes views
I have a rather simple question - What is the acceptable difference in coupling constants between the anisotropic and is...
Posted: shub 31 / Updated: Bharathwaj 31 Jun 22 at 07:16

How does pipe estimates Haight and DHeight?

4 1 113
answers votes views
I`m new on Pipe. I was using the values from pipe to estimate R1 and R2. Because lots of signal in the HSQC were crowded...
Updated: Marcos 11 Jul 02 at 10:55

How to set up 15N direct detection on UnityInova?

3 0 1k
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 2831 / Updated: Andrew Fowler 51 Jul 30 at 06:01

Software to calculate chemical exchange lineshape

3 2 1k
answers votes views
Are there any modern programs (preferably freeware) that will simulate line broadening in the presence of exchange. Some...
Posted: dstephenson 56 / Updated: Kirk Marat 351 Dec 19 '09 at 07:40

Header for Varian fid file

3 1 1k
answers votes views
I have an fid file (for a 2D experiment) that I would like to process in vnmr. I am aware that an fid file requires a c...
Posted: KevinJD 16 / Updated: Evgeny Fadeev 2831 Jan 18 at 11:25

1H-NMR-spektrum for CAS: 1792-81-0 HEEEELP

3 1 763
answers votes views
I'm going to finish my repport for the school in a very few days, but I just can't finde a 1H-NMR-spektra for the molecy...
Posted: say 11 / Updated: Clemens Anklin 166 Dec 23 '09 at 14:58

How to extract Bruker fid data - in topspin and xwinnmr - to ascii format?

3 1 916
answers votes views
Hi and thanks for answering my prev. questions! Decided to ask this one: How can I convert fid data (ser file) to plain...
Posted: Magnethead 42 / Updated: Clemens Anklin 166 Jul 23 at 21:23

NMR experiments to assign aromatic sidechains?

3 1 658
answers votes views
Hello, may I ask this - NMR experiments/pulse sequences are available to assign aromatic sidechains - Phe, Tyr, Trp? We'...
Posted: anita 31 / Updated: Matthew Revington 11 Aug 19 at 07:15

How do you find incorrectly assigned NOE restraints?

3 1 730
answers votes views
So you've analyzed your NOE data sets and have 1000+ assigned restraints, with probably inevitable errors. Going through...
Updated: Evgeny Fadeev 2831 Mar 02 at 09:09

gNhsqc_IPAP RDC data processing

3 2 320
answers votes views
Does anyone know how, or have a resource that can assist me in processing data collected from this experiment? Thanks. ...
Posted: Elio Cino 31 / Updated: Evgeny Fadeev 2831 Mar 04 at 07:28

Varian data storage: Float vs INT ?

3 2 463
answers votes views
Hi Guys, I noticed that the Varian file format has a bit in the status code (a short value in the 32 byte header) which ...
Posted: j 91 / Updated: Evgeny Fadeev 2831 Mar 04 at 12:43

What NMR experiments can be used to detect hydrogen bonds?

3 0 707
answers votes views
Hello, what NMR experiments can detect hydrogen bonds directly? Is there anything that can work with non-labeled sample...
Updated: Evgeny Fadeev 2831 Mar 29 at 15:43

How to fix error code 9 when running modelfree?

3 2 441
answers votes views
Guys-has any one used fastMF program from Loria's group? I am getting an error message - "Error during input, file= 6mar...
Posted: Jeetender Chugh 31 / Updated: Evgeny Fadeev 2831 Apr 07 at 09:12

Limit Testing by NMR?

3 1 513
answers votes views
Is it possible to use NMR for limit testing of trace impurities in pharmaceutical drug substances? What are the conside...
Posted: Chris Kirchner 11 / Updated: sekhar Talluri 321 May 23 at 11:49

How to determine E vz Z olefin isomer when proton resonances orverlap?

3 1 476
answers votes views
We have an olefin, R1-CH=CH-R2 where proton resonances overlap. Is there a way to determine olefin isomer - E (trans) vs...
Posted: Evgeny Fadeev 2831 / Updated: Cleber Barreto 63 Jul 10 at 08:07

Which Bruker HMBC program do you use?

3 1 262
answers votes views
Hello, Here are Bruker hmbc pulse programs (produced by ls *hmbc*): hmbcacbigpl2ndqf hmbcacgplpqf hmbcetgpl2nd hm...
Posted: Evgeny Fadeev 2831 / Updated: Tim Claridge 21 Jul 23 at 04:26

Problem reading and transforming vendor data using C++/Qt

3 2 217
answers votes views
Hi, I am a German chemistry Bachelor student (beginning my Master studies in October) and as a spare-time hobby I would...
Updated: Pascal Fricke 31 Aug 04 at 00:16

How to create synthetic FID data in either Bruker, Varian or JEOL?

3 0 230
answers votes views
Are there tools that allow to create raw data files in vendor format that contain desired data? For example for the tes...
Posted: Evgeny Fadeev 2831 / Updated: John Hollerton 21 Aug 24 at 06:55

Software to create shaped pulse files from mathematical equation?

2 0 1k
answers votes views
I would like to create working shaped pulse files in one step starting from mathematical expressions - one for amplitude...
Posted: Evgeny Fadeev 2831 / Updated: georgeg 156 Dec 10 '09 at 13:47

How to optimally choose a 1/4J 1H-15N delay for INEPT?

2 1 981
answers votes views
Why is it often the case that when transferring magnetization from 1H to 15N, the 1/4J time is often a little less than ...
Posted: Scott Robson 111 / Updated: Evgeny Fadeev 2831 Apr 14 at 16:33

finding sample data for practicing 2D 1H assignment

2 1 1k
answers votes views
as I have already started to assign a small peptide, I need sample data set for practicing 2d h1 assignment, could you p...
Posted: niloofar niknam 26 / Updated: jkurutz 91 Dec 15 '09 at 05:00

Please suggest model proteins and peptides for NMR

2 1 769
answers votes views
do you know any model proteins except lysozyme suitable for nmr experiments? ...
Posted: niloofar niknam 26 / Updated: Markus Seeliger 11 Aug 17 at 13:16

How to process gNhsqc_IPAP.c data with nmrPipe?

2 0 878
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 2831 Mar 03 at 13:11

Long BioPack calibration run time

2 2 399
answers votes views
I am running BioPack on a Varian INOVA 800MHz on a newly aquired 13C15N1H sample and I have come across an issue that I ...
Posted: cmoody 21 / Updated: Evgeny Fadeev 2831 Jan 21 at 16:05

Is it safe to do levitation demo with superconducting NMR magnets?

2 0 458
answers votes views
We do this trick with our 800 MHz Oxford Instruments-built magnet often to impress some folks: Remove the probe and plu...
Posted: Evgeny Fadeev 2831 / Updated: jkurutz 91 May 26 at 03:56

Are there alternatives to MOLMOL for visualization of NMR structure ensemebles?

2 0 478
answers votes views
Hi folks, I've been using Molmol, but found significant issues when working with a non-standard structure. For example...
Updated: Evgeny Fadeev 2831 Mar 02 at 08:05
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