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Sign upScore becomes 0 if no MS2 peaklist information provide. #25
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schymane
commented
Jun 21, 2019
The MetFrag scoring function needs fragments (MS2) to come up with a score above zero. If you do not have any fragmentation data, then you can only use additional metadata (literature, patent counts, etc) to score your candidates. If you are using PubChem, then you can retrieve this additional data and add it as a score on the "Candidate Filter and Scoring Settings" tab. There you will also find other available options to score your candidates. But please do bear in mind that most additional scores are not based on experimental data then, so e.g. the ranking based on patent and literature counts may not always make sense in terms of your experimental context. |
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schymane
commented
Jun 21, 2019
https://msbi.ipb-halle.de/MetFrag/ |
fxd1106 commentedJun 21, 2019
Hi,
We have generated a dataset with only MS1, when I try to perform the database searching without MS2, all the probabilistic scores become 0. How can we deal with this issue?