ISOCORRECTOR LOG-FILE - 2018-11-20 13:26:53
IsoCorrectoR-version: 1.1.2

IsoCorrectoR is free software and comes without any warranty.

FILES AND DIRECTORIES

Measurement File: inst/testdata/normal_resolution/msms/MeasurementFile.csv
Molecule File: inst/testdata/normal_resolution/msms/MoleculeFile.csv
Element File: inst/testdata/ElementFile.csv
Working Directory: C:/IsoCorrectoR/Development/IsoCorrectoR_R_dev_heinrich/IsoCorrectoR
Output Directory: inst/testdata/normal_resolution/msms/reference
Result File(s): IsoCorrectoR_co_p_Corrected.csv, IsoCorrectoR_co_p_CorrectedFractions.csv, IsoCorrectoR_co_p_Residuals.csv, IsoCorrectoR_co_p_RelativeResiduals.csv, IsoCorrectoR_co_p_CorrectedMonoisotopic.csv, IsoCorrectoR_co_p_CorrectedMonoisotopicFractions.csv, IsoCorrectoR_co_p_MeanEnrichment.csv, IsoCorrectoR_co_p_RawData.csv

PARAMETERS

Correction for tracer impurity: TRUE
Correction of tracer element in core molecule: TRUE
Ultra-High-Resolution correction mode: FALSE
Calculation of mean enrichment: TRUE
Molecules in the correction process: NL-C2-LabC2, NL-C4-LabC2, NL-C6-LabC2, NL-C8-LabC2, NL-C10-LabC2
Tracer(s): C
Tracer purity: 0.99
Limit value for calculation: 1e-08

