We are using MassHunter Qualitative Analysis B.07 with full scan MSD data. We are not able to input a number in the Method Editor for the minimum acceptable (reportable ?) forward library search match factor. See attachment. We can click and turn the input box blue but it will not accept any input. The Help file is not clear to us on how to input a number.
Hello,
I updated the tags to increase visibility.
Unfortunately, this is not an editable field with MassHunter Qual. I'm verifying with our software R&D team to have more information on that field. I'll let you know as soon as I have more information about it.
Regards,
Rejean
Hello, here is more information about the reverse and forward score fields:
there is only one score and it's blended for forward and reverse. In Qual only the reverse field is used to indicate the minimum acceptable LMS. It's not possible to edit the forward score field.
Hi Rejean,
Thank you for the explanation. Do you know if this reverse only match is PBM ?
Trifecta
Hello,
I apologize for the extremely delayed response. I was going through old posts and found that this one had never been replied to.
MassHunter does not use PBM for its searching. It uses its own algorithm to perform library searching. It makes use of only the Score (rev) field to set a library score limit for the single blended forward and reverse score.
Thank you Howard for your explanation. I have 2 follow-up questions:
Is the blended match factor equal to the reverse number (say 70 ) and the difference from 100 (100-70=30) equal to the forward contribution ?
Is the Agilent algorithm a dot product ?
The Blended score is 70% forward + 30% reverse.
Yes, it is a dot product calculation.
Thank you Tom.
Are the mass values and abundances weighted the same as they are in NIST Search ?
Hello, here is more information about the reverse and forward score fields:
there is only one score and it's blended for forward and reverse. In Qual only the reverse field is used to indicate the minimum acceptable LMS. It's not possible to edit the forward score field.