Dear fellow mzMine users, We have discovered a subtle problem with using the Gap-Fill function for aligned peak lists.
The average mass is calculated after gap-filling and this appears to often be different than the true exact mass, presumably due to gap filled peaks with slightly different mass to the found peaks. The consequence of this is that searching our custom exact-mass library may miss metabolites. We have now changed to doing the identification step before any gap-filling, resulting in many more correctly identified peaks. Cheers, Mark -- ----------------------------------------- Mark Earll Research Leader - Metabolomics Analytical Sciences (Office 102/65) [cid:image001.jpg@01CD0CEA.8BA9BD10] Jealott's Hill International Research Centre Bracknell Berkshire RG42 6EY United Kingdom Direct +44 1344 414316 mark.ea...@syngenta.com<mailto:firstname.surn...@syngenta.com> www.syngenta.com<http://www.syngenta.com/> This message may contain confidential information. If you are not the designated recipient, please notify the sender immediately, and delete the original and any copies. Any use of the message by you is prohibited.
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