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MassBank / MassBank2NIST

A converter between MassBank and NIST (and Bruker .library) formats and back
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PubChem CID v SID #20

Closed schymane closed 9 years ago

schymane commented 9 years ago

Does this need to be checked somewhere in one of the validation suites? Erik's? Or wait for confirmation from Bruker which number it is. PubChem ID is not in Nikos' version.

schymane commented 9 years ago

According to Aiko it's the CID, email 3/11/14. Thus, code as if we have the CID.

sneumann commented 9 years ago

So this can be closed, we have e.g.

recdata/BR000001.txt:CH$LINK: PUBCHEM CID:190