Comments (2)
Hi Josie,
Sorry for the super (super) late reply, I somehow missed this issue.
When we processed the data, we only used spectra from the hr_nist_msms
(high resolution) partition. I haven't tested the lr_nist_msms
(low resolution) partition recently, so our preprocessing script might not work properly on those data.
However, looking at the lr_nist_msms.MSP
file that I have, it seems to me like they do not include the "Frag_mode" metadata entries, which would explain your NaNs. Based on the context of this data, I think it's safe to assume they are all "CID". However, I do think there is a high degree of overlap between the low resolution and high resolution libraries, so I'm not sure how useful it will be to include these spectra in the training data.
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I see. I will try hr_nist_msms
first. Thanks a lot! ; )
from massformer.
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