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Hi everyone

I would like to write some code to read in spectra that were processed using TopSpin (Bruker), but so far I have only been able to find information on how the raw data (fid/ser files) are stored in Bruker format.

My main questions are:

  • do I also have to pay attention to 1024 byte-blocks that may or may not be completely filled up (as is the case with the raw data)?
  • when the processing parameters FTSIZE and SI differ, which of those is relevant? (judging from the TopSpin manual I would say SI, but the CCPN software, for example, seems to use FTSIZE, unless I am mistaken)
  • what does it mean if BYTORDP is equal to 0? I thought it should be either little or big.
  • is there any official documentation describing the format of the processed data files (not the proc(s) files but the actual spectra)?

Thank you very much for your help!

asked Sep 21 '12 at 07:41

canavanin's gravatar image

canavanin
17

updated Sep 21 '12 at 07:51


2 Answers:
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The CONNJUR project has Java code which reads Bruker data; it can be downloaded from our website

The document fileform.pdf included with topspin installation documents the processed data format.

link

answered Sep 24 '12 at 09:46

Gerard's gravatar image

Gerard
56

Thank you very much for the link, I'll have a look. - canavanin (Sep 25 '12 at 00:46)

Thanks again - it turned out that the information I required was present in fileform.pdf :) - canavanin (Sep 27 '12 at 07:31)

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I don't know about the other questions, but regarding your BYTORDP-question I can tell you that "0" means little endian and "1" means big endian.

link

answered Sep 24 '12 at 11:26

Pascal%20Fricke's gravatar image

Pascal Fricke
236

Thanks a lot! - canavanin (Sep 25 '12 at 00:46)

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