smith-chem-wisc / FlashLFQ

Ultra-fast label-free quantification algorithm for mass-spectrometry proteomics
GNU Lesser General Public License v3.0
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Duplicated column names in BayesianFoldChangeAnalysis.tsv #102

Open MKoesters opened 3 years ago

MKoesters commented 3 years ago

Hi all,

I used MetaMorpheus to analyse some data and after putting the results into FlashLFQ, I end up with a bayesianFoldChangeAnalysis File with duplicated columns names:

My metamorpheus tomls are these ones here: https://github.com/smith-chem-wisc/MetaMorpheus/issues/2082

['Protein Group',
 'Gene',
 'Organism',
 'Control Condition',
 'Treatment Condition',
 'Null Hypothesis Width',
 'Protein Log2 Fold-Change',
 'Uncertainty in Protein Log2 Fold-Change',
 'Standard Deviation of Peptide Log2 Fold-Changes',
 'Protein Intensity in Control Condition',
 'Protein Intensity in Treatment Condition',
 'Number of Peptides',
 'Number of Control Condition Measurements',
 'Number of Treatment Condition Measurements',
 'Control Measurements',
 'Treatment Measurements',
 'Bayes Factor',
 'Posterior Error Probability',
 'False Discovery Rate',
 'Unnamed: 19',
 'Protein Group.1',
 'Gene.1',
 'Organism.1',
 'Control Condition.1',
 'Treatment Condition.1',
 'Null Hypothesis Width.1',
 'Protein Log2 Fold-Change.1',
 'Uncertainty in Protein Log2 Fold-Change.1',
 'Standard Deviation of Peptide Log2 Fold-Changes.1',
 'Protein Intensity in Control Condition.1',
 'Protein Intensity in Treatment Condition.1',
 'Number of Peptides.1',
 'Number of Control Condition Measurements.1',
 'Number of Treatment Condition Measurements.1',
 'Control Measurements.1',
 'Treatment Measurements.1',
 'Bayes Factor.1',
 'Posterior Error Probability.1',
 'False Discovery Rate.1',
 'Unnamed: 39',
 'Unnamed: 40']

I run FlashLFQ with all standard parameter except specifying --bay and --ctr And then read the data as following:

bay = pd.read_csv(results_dir / "BayesianFoldChangeAnalysis.tsv", sep="\t")

After checking 'Protein Log2 Fold-Change' and 'Protein Log2 Fold-Change.1' I realized the values are not the same, which is bothering me since I don't know if I can continue and if yes, which columns is the right one.

Best, Manuel