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AdityaSavara / MSRESOLVE

MSRESOLVESG. A program for converting mass spectrometry signals to concentrations. Baseline corrections, smoothing, solving overlapping patterns, mass spectrometer tuning, and more.
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createMSDataObject and readMSDataFromFile functions should be made to read Experiment Data from file #269

Open AdityaSavara opened 2 years ago

AdityaSavara commented 2 years ago

Currently, we have a function named

createReferenceDataObject which calls readReferenceFile then returns a ReferenceData object.

We don't have an analogous set of functions for the MSData class. We should. We could then also have an optional field for the number of header rows which would bring us closer to being able to simply read in exported mass spectrometry files.

AdityaSavara commented 2 years ago

When reading the ExperimentData from file, currently a top row that is a comment is expected (for describing the experiment etc.). That should be made optional, or at least a warning should be provided if the person is missing that top row.