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Reference MS

Posted: March 6th, 2017, 9:47 am
by michaelgroessl
When applying a template to a blob table, the reference MS filed in Blob Properties/Analysis is filled automatically. What does the reference MS refer to?

Re: Reference MS

Posted: March 6th, 2017, 10:08 am
by qtao
Reference MS is added when adding a blob to template. It is the spectrum of the blob, either peak (apex) or blob(integrated) MS, which depends on the following setting:

Configure > Settings > Library Search > Type of Spectrum

Re: Reference MS

Posted: March 6th, 2017, 10:20 am
by michaelgroessl
Thanks.
So is this reference MS of the template somehow matched to blobs when clicking "match template"? If so, how is this done - is there some type of similarity score calculated? Is is possible to manually compare the spectrum of the template to the blob spectrum?

Re: Reference MS

Posted: March 6th, 2017, 12:26 pm
by qtao
You need to set Qualifier CLIC to use Reference MS, for example,

Code: Select all

Match("<ms>") >= 800.0
You can let the program generate it automatically whenever adding a blob to template by Configure > Settings > Template > Auto CLIC > check Create Qualifier CLIC.... You can find more details here.

There is no visual comparison between Reference and Blob spectra. But you can compute the match factors between them after applying template by setting Analysis CLIC to

Code: Select all

Match("<ms>") 
, then add aCLIC Result column to Blob Table.