Python code, report, or report template to automatically print the tune evaluation for DFTPP or BFB as a report in Masshunter.

I would like some help either writing a python code, or using an existing report or report template to evaluate the BFB or DFTPP tune without using the tune program. I have had success modifying the provided LIMs python codes to fit our LIMs format, but creating a tune evaluation would be much more difficult.

Is there a link online to some documentation regarding the way the data filters are handled in the Masshunter program?

For example, I have been able to cobble together simple code snippets like the below using pieces of the provided codes but I would like some advanced documentation so that I can write more advanced processes:

peaks = DataProvider.SelectPeaks("FinalConcentration is NOT Null or FinalConcentration = 0.0","")

for p in peaks:

b = DataProvider.BatchAttributes.BatchDataPathFileName
c = DataProvider.GetCompound(p.BatchID, p.SampleID, p.CompoundID)
s = DataProvider.GetSample(p.BatchID, p.SampleID)

As a side note, how can I get the report methods to NOT process and report after every sample is acquired? As of now with the unified method, the full set of reports is generated after every sample is acquired, as well as when we want to do a batch report after data processing

  • Hello  ,

    The only other documentation available about the data structures used in quant, other than the information in the SDK and data set manual, is an XML Schema file, QuantitationDataSet_xx_x.xsd, that is available on the quant installation media. This can be found in the folder Additional/Schema.

    As for your acquisition/reporting issue, make certain that there is no DA method specified in your sequence, and that you are set up to do only acquisition with your method and not acquisition and DA. 

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