validate: Validate MassBank records with a set of Unit tests

In RMassBank: Workflow to process tandem MS files and build MassBank records

Description

Validates a plain text MassBank record, or recursively all records within a directory. The Unit Tests to be used are installed in RMassBank/inst/validationTests and currently include checks for NAs, peaks versus precursor, precursor mz, precursor type, SMILES vs exact mass, total intensities and title versus type. The validation report is saved as "report.html" in the working directory.

Usage

validate(path, simple = TRUE)

Arguments

path	The filepath to a single record, or a directory to search recursively
simple	If TRUE the function creates a simpler form of the RUnit .html report, better readable for humans. If FALSE it returns the unchanged RUnit report.

Examples

## Not run: 
validate("/tmp/MassBank/OpenData/record/")

## End(Not run)

RMassBank documentation built on Nov. 8, 2020, 6:06 p.m.