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RECETOX / MFAssignR

The MFAssignR package was designed for multi-element molecular formula (MF) assignment of ultrahigh resolution mass spectrometry measurements. A number of tools for internal mass recalibration, MF assignment, signal-to-noise evaluation, and unambiguous formula selections are provided.
GNU General Public License v3.0
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FindRecalSeries: Adjust the function to work with input dataframe containing spaces in colnames #52

Closed KristinaGomoryova closed 2 months ago

KristinaGomoryova commented 2 months ago

The RecalList function returns a dataframe containing spaces in the column names (e.g. Mass Range). When importing the data into R, all spaces get replaced by dots (resulting in Mass.Range).

I think we should do colnames(df) <- gsub(" ", ".", colnames(df)) to ensure we get unified input

hechth commented 2 months ago

We should rather change the colnames of the exported columns than of the import.