Hi Nick, Brendan and team
What is the methodology to retrieve either full precision or a set scientific notation when calling reports from the command line? An example below of a report where we would love to be able to get better precision for start and end time for the peaks, and for concentration, but the default behavior seems to be 2 decimals for retention time and unpredictable for concentration. Is there a way to specify the export precision in the report xml, so that it can be done reproducibly between Skyline installs?
Cheers,
Will
<?xml version="1.0"?>
<views>
<view name="MoveKitCE_PeakIntegration" rowsource="pwiz.Skyline.Model.Databinding.Entities.Transition" sublist="Results!*" uimode="small_molecules">
<column name="Results!*.Value.PrecursorResult.PeptideResult.ResultFile.FileName" caption="file_name" />
<column name="Results!*.Value.PrecursorResult.PeptideResult.ResultFile.Replicate.Name" caption="replicate_id" />
<column name="Precursor.Peptide.Protein.Name" caption="molecule_group" />
<column name="Precursor.Peptide.MoleculeName" caption="molecule_name" />
<column name="Precursor.Adduct" caption="adduct" />
<column name="Precursor.Peptide.RetentionTimeCalculatorScore" caption="retention_time_calculator_score" />
<column name="Results!*.Value.Chromatogram.ChromatogramPrecursorMz" caption="precursor_mz" />
<column name="Results!*.Value.Chromatogram.ChromatogramProductMz" caption="ion_mz" />
<column name="Results!*.Value.PrecursorResult.MinStartTime" caption="start_time" />
<column name="Results!*.Value.PrecursorResult.MaxEndTime" caption="end_time" />
<column name="Results!*.Value.PrecursorResult.PeptideResult.PeptideRetentionTime" caption="peak_max_time" />
<column name="Results!*.Value.PrecursorResult.PeptideResult.PredictedResultRetentionTime" caption="predicted_peak_max_time" />
<column name="Results!*.Value.UserSetPeak" caption="is_modified_from_skyline_peak" />
<column name="Results!*.Value.PrecursorResult.PeptideResult.Quantification.CalculatedConcentration" caption="calculated_concentration" />
</view>
</views>