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I need to give NMR data to someone who has only spreadsheet software to prepare plots of data and she also wants to fit peaks to curves in Origin.

What are ways to extract data traces in XY format from source data. Or otherwise make it importable into origin?

In a simple case it is a 1D spectrum and all that is needed - just convert it to XY.

Thanks.

asked Jul 21 '09 at 17:03

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
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updated Nov 18 '09 at 14:33


6 Answers:
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I wrote a C program to do this years ago called ux2ascii. I've put it in the same folder as my jdfutilities (to save making a new folder). It is for Bruker data but would be very easy to adapt for any other vendor.

URL: http://iodine.chem.qmul.ac.uk/jdfutilities

H

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answered Jul 31 '09 at 13:12

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anglican
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updated Nov 11 '09 at 04:44

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There are AU programs in Topspin called convbin2asc and convfid2asc that will convert Bruker NMR data into a comma separated value CSV file. For spectra the point number, Hz PPM and INtesity are listed for each data point. For Fids point number and intensity are stored.

Clemens

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answered Aug 07 '09 at 13:18

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Clemens Anklin
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I generally use the showASCII macro from nmrPipe package to print out the FID's in ascii format. Here is the basic script I use for it

#!/bin/csh
var2pipe -in *inputfidname* \

 -noaswap  \

  -xN              2048  \

| nmrPipe -fn MAC -macro $NMRTXT/showASCII.M \
  -verb -tty -noWr -outHdr -all -str outName *outputfilename*

sleep 5
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answered Nov 23 '09 at 09:31

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updated Nov 23 '09 at 09:57

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Evgeny Fadeev
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There is also freeware available, SpinWorks. It will take Bruker .fid data. From this you can export x,y ascii.

Bernie

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answered Aug 15 '09 at 21:31

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bernie o'hare
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i've written matlab codes to process 1d,2d and 3d data sets for bruker data (QF mode for the indirect dimensions --- written for microimaging data, but will work for spectroscopy data acquired in QF mode)

and 1d and 2d data sets for varian echo-antiecho hypercomplex data

i dont know how to post up the codes. but can send to Evgeny.

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answered May 17 '10 at 17:14

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kiscs kiscs
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Hi Kisks, thanks! You can upload tar files here http://nmrwiki.org/wiki/index.php?title=Special:Upload and I will later somehow list them. Also I soon plan to set up a git repository for files, then you will be able to check in through github. Cheers, Evgeny. - Evgeny Fadeev (May 17 '10 at 17:26)

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Hi As a newbie in the NMR world I hope you guys can help me out with a simple Q: I have 104 1D spectras I would like to tranform into ascii_spec.txt via the conmmands: convbin2asc and txt:x;pdata,1 Do I have to do this 104 times orcan this be done in one hit by?? Cheers Michael

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answered Aug 19 at 05:17

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Michael
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