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posted Sep 21 '12 at 07:41

canavanin's gravatar image

canavanin
17

Data format of TopSpin-processed spectra

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)
  • 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!

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added another sub-question

posted Sep 21 '12 at 07:51

canavanin's gravatar image

canavanin
17

Data format of TopSpin-processed spectra

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!

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