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T1 T2 calculation

Open lpatiny opened this issue 5 years ago • 7 comments

Give possibility to calculate T1 and T2

lpatiny avatar Oct 09 '20 06:10 lpatiny

Related to https://github.com/cheminfo/nmr-displayer/issues/447

lpatiny avatar Oct 09 '20 06:10 lpatiny

Data should probably be stored as pseudo 2D.

lpatiny avatar Aug 04 '23 16:08 lpatiny

An easy to read blog about T1 measurements:

https://www.nanalysis.com/nmready-blog/part-1-t1-relaxation-definition-measurement-and-practical-implications

so the workflow for T1 calculation could be started from pseudo-2D, so nmrium should be able to extract a slice, process (base line, phase correction).

  • define the ROIs to extract the integration to fid. In that way we should have the vdlist (bruker file) or the list of delay list of the T1 experiment.

jobo322 avatar Jan 08 '24 16:01 jobo322

some tickets are added in order to complete this task:

  • https://github.com/cheminfo/brukerconverter/issues/122
  • https://github.com/cheminfo/nmr-processing/issues/367

jobo322 avatar Jan 09 '24 04:01 jobo322

On this blog, seems for 1D T1 measurements (t1ir1d) from bruker (folder experiment) we have d7 delay constant in seconds. for varian brand (s2pul pulse sequence), d2 delay constant.

@lpatiny should we map those values to info.delayTime?

jobo322 avatar Jan 22 '24 16:01 jobo322

currently for T1 measurement (bruker and jcamp) after split the pseudo2D the info.vd contains the information about the delay time or Tau.

jobo322 avatar Feb 02 '24 19:02 jobo322