ISOCORRECTOR LOG-FILE - 2018-11-20 13:25:01
IsoCorrectoR-version: 1.1.2

IsoCorrectoR is free software and comes without any warranty.

WARNINGS HAVE OCCURRED, THE CORRECTION MAY BE FAULTY. WARNING(s):

In measurement data file: Measurement data of molecule Glu in sample sample2 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

In measurement data file: Measurement data of molecule Ser in sample sample2 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

In measurement data file: Measurement data of molecule Glu in sample sample3 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

In measurement data file: Measurement data of molecule Ser in sample sample3 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

In measurement data file: Measurement data of molecule Glu in sample sample4 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

In measurement data file: Measurement data of molecule Ser in sample sample4 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

In measurement data file: Measurement data of molecule Glu in sample sample5 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

In measurement data file: Measurement data of molecule Ser in sample sample5 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

In measurement data file: Measurement data of molecule Glu in sample sample6 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

In measurement data file: Measurement data of molecule Ser in sample sample6 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

In measurement data file: Measurement data of molecule Glu in sample sample8 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

In measurement data file: Measurement data of molecule Ser in sample sample8 contains NA values. The correction performed may be less acurate.
Be especially careful when considering fraction and mean enrichment values from samples with missing values.

FILES AND DIRECTORIES

Measurement File: inst/testdata/normal_resolution/AA1_missingValues/MeasurementFile.csv
Molecule File: inst/testdata/normal_resolution/AA1_missingValues/MoleculeFile.csv
Element File: inst/testdata/ElementFile.csv
Working Directory: C:/IsoCorrectoR/Development/IsoCorrectoR_R_dev_heinrich/IsoCorrectoR
Output Directory: inst/testdata/normal_resolution/AA1_missingValues/reference
Result File(s): IsoCorrectoR_nco_np_Corrected.csv, IsoCorrectoR_nco_np_CorrectedFractions.csv, IsoCorrectoR_nco_np_Residuals.csv, IsoCorrectoR_nco_np_RelativeResiduals.csv, IsoCorrectoR_nco_np_CorrectedMonoisotopic.csv, IsoCorrectoR_nco_np_CorrectedMonoisotopicFractions.csv, IsoCorrectoR_nco_np_MeanEnrichment.csv, IsoCorrectoR_nco_np_RawData.csv

PARAMETERS

Correction for tracer impurity: FALSE
Correction of tracer element in core molecule: FALSE
Ultra-High-Resolution correction mode: FALSE
Calculation of mean enrichment: TRUE
Molecules in the correction process: Glu, Ser
Tracer(s): C
Tracer purity: NA
Limit value for calculation: 1e-08

