This program will only work for experiment run on a Bruker instrument. Tested for TopSpin versions 2.1 to 3.2

• Start with a set of samples with a quantitative measurement (activity, IC50,...)
• Acquire a set of 1D and 2D NMR experiments (the program actually handles COSY, TOCSY, HSQC, HMBC, DOSY).
  For the program to function correctly, it is important that
  • all samples are acquired with exactly the same set-up, ideally in automation
  • each sample is associated to different Bruker experiment folder
  • the same expno are used all along the different experiments
• Your experimental data should somehow look like that:

  ... TopSpin data list ...
  MyReference
      1   zg
      10  cosydqf
      20  ledbpgs
      30  hsqc
      100 zgpg
  Sample1
      1   zg
      10  cosydqf
      20  ledbpgs
      30  hsqc
      100 zgpg
  Sample2
      1   zg
      10  cosydqf
      20  ledbpgs
      30  hsqc
      100 zgpg
  Sample5
      1   zg
      10  cosydqf
      20  ledbpgs
      30  hsqc
      100 zgpg
  ...
  

  You can process the 1Ds, but there is no need to process the 2Ds, the archive will be smaller that way
• Create a zip archive containing all the Bruker experiments
• from this page "Data Processing" send your job and the required parameters - this will start the processing job on our server. You will receive a mail when the processing is finished. (processing time may depend on the server load).
• This mail will contain a link pointing to the site where you can look at the results of the analysis