NIST User library doest not have a RI.dat

QizhiSu / mspcompiler

Compile Mass Spectral Libraries from Various Sources

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NIST User library doest not have a RI.dat #3

Open HtheChemist opened 1 year ago

HtheChemist commented 1 year ago

While the mainlib and replib have a RI.dat file, custom library does not have it. However, it does have a rivalue.inu file. I don't know if this file could be use as a reference file for the RI.

GIGadamJiang commented 4 months ago

dear HtheChemist，

have you solved this problem?

HtheChemist commented 3 months ago

I believe I ended up writing a Python script but I don't remember clearly, sorry.