DrSAR / SARlabpy

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alternative functions for reading JCAMP and 2dseq #55

Closed andrewcyung closed 11 years ago

andrewcyung commented 11 years ago

I had independently coded a version of readJCAMP and read2dseq based off of Stefan's code from a long while back before knowing about the sarpy repository. Motivation: working with Bruker-calculated 2dseq (e.g. from DTI calculation or ISA tool fitting). Some "improvements"/differences over the master versions include the following:

readBrukerParx (version of readJCAMP):

read2dseq_visu (version of read2dseq_visu):

Since I haven't really figured out this git thing yet, I just put these two into a separate file (BRUKERIO_ay.py).

I have uploaded a few datasets to test with, to compare the behaviour of these versions versus master versions:

https://dl.dropbox.com/u/1179264/T1VFAphant.3U1.zip
https://dl.dropbox.com/u/1179264/KDVPM101.dP1.zip
DrSAR commented 11 years ago

That's very useful.I'll have a look and checkout to see how to incorporate this into exisiting code

andrewcyung mailto:notifications@github.com 20 March, 2013 14:07

I had independently coded a version of readJCAMP and read2dseq based off of Stefan's code from a long while back before knowing about the sarpy repository. Motivation: working with Bruker-calculated 2dseq (e.g. from DTI calculation or ISA tool fitting). Some "improvements"/differences over the master versions include the following:

readBrukerParx (version of readJCAMP):

  • better handling (I hope) of weird instances where a LDR value included characters which are also JCAMP delimeters (like < > # $)
  • a list of size 1 is converted to a single non-list value

read2dseq_visu (version of read2dseq_visu):

  • visu-centric way of reconstructing the data
  • accommodates instances where Bruker has generated a 2dseq (but no reco) from calculations. The most common example is the 2dseq that Bruker generates from DTI data. If there is no reco file, the reco dict key just returns an empty list.
  • function returns a "dimdesc" variable that describes the different frame groups, based on VisuFGOrderDesc

Since I haven't really figured out this git thing yet, I just put these two into a separate file (BRUKERIO_ay.py).

I have uploaded a few datasets to test with, to compare the behaviour of these versions versus master versions:

https://dl.dropbox.com/u/1179264/T1VFAphant.3U1.zip https://dl.dropbox.com/u/1179264/KDVPM101.dP1.zip

— Reply to this email directly or view it on GitHub https://github.com/DrSAR/SARlabpy/issues/55.