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PNNL-Comp-Mass-Spec / Thermo-Raw-File-Reader

.NET DLL wrapper for reading Thermo .Raw files. Uses ThermoFisher.CommonCore NuGet packages provided by Thermo Fisher Scientific
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reference flag #1

Open tobiasko opened 4 years ago

tobiasko commented 4 years ago

Dear PNNL-Comp-Mass-Spec,

I was wondering if anyone knows how to access the reference flag attribute of peak lists through RawFileReader? To my knowledge this flag is used asa lock masses are enabled for FTMS centroided scans. The corresponding peaks in the spectrum are then flagged as being a reference signal. I suspect that this attribute is similar to intensity, resolution, noise, ... I just couldn't find the getter method in Jims documentation.

Best, Tobi

alchemistmatt commented 4 years ago

I can update our reader to allow you to set IncludeReferenceAndExceptionData to true. In order to test this, it would be beneficial if you could provide an example .raw file that has the reference data that you referred to. Please contact me by sending your e-mail address to proteomics@pnnl.gov and I'll send you a link you can use to send us a file.

tobiasko commented 4 years ago

@alchemistmatt That is very kind, but we have already done this in our C# code. What we miss is a generell understanding how peaks are flagged. What kind of flags exist, how are they stored, which methods/objects make use of flags. Do you know something on this topic?