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Column Type Explaination

agg_count integer how many peptides were aggregated together from the pep.xml file

assumed_charge integer Precursor ion charge used for search

calc_neutral_pep_mass double theoretical mass

protein_descr string single concatenated string of protein descriptions — used for text search — (see protein_descr)

eics float[] flat array of a matrix of [isoMax+2,rt,2] with isoMax+2 hits of retention time,intensity

eics_shape integer[] actual shape of eics matrix (Since the parquet storage only allows 1D arrays)

enrichment double Average Enrichment found from NNLS fitting

fail integer bit wise OR of failures and warnings of the envelope fit (0 means no problem!)

heavyCor double pearson R statistic between heavy distribution and the theoretical distribution

heavyCor2 double pearson R statistic between isotopeEnvelopes and the theoretical distribution

isLabelledRun boolean search hit was in a labelled run

is_decoy boolean if protein has a DECOY_ prefix

isotopeEnvelopes float[] Experimental Intensities from EIC Spectrum Data

isotopeRegressions float[] Explain?

labelledElementCount integer number of labelled atoms of this type on this peptide

labelledEnvelopes float[] weight calculated from NNLS fitting

maxIso integer maximum number of heavy isotopes considered for this peptide

modcol string string form of the modifications of this peptide '{mass1}@{position1}:{mass2}@{position2}...'. The mass is formatted to 3 decimal places

modifications

 Column Type Explaination
monoDelta  double 
        
         mass difference of static or variable modification 
    
    
        monoMass
         double 
         modified mass of aminoacid 
    
    
        position
         integer 
         modified aminoacid position in peptide [ranging from 1 to peptide length]

list of modifications

monoFitParams float[] array of 4 gaussian curve fitted params: mu, sigma, scale, baseline

mz double calc_neutral_pep_mass/assumed_charge + H+

mzranges float[] array of [maxIso+2,2] mz min and max for each isotope of the peptide

num_missed_cleavages integer Number of sample enzyme cleavage sites internal to peptide

observed_mz double precursor_neutral_mass/assumed_charge + H+

peptide string the peptide as amino acid string e.g. FYLQPLPPAEAAAR

peptideprophet_probability double Peptide Prophet probability

precursor_neutral_mass double observed mass

protein_descr string[] list of decriptions of the proteins (from some database)

proteins string[] list of protein IDs

relativeIsotopeAbundance double see here

retention_time_sec double retention time associated with start_scan

run string run associated with this search hit

result_index integer relates back to index of original pepxml (for debugging)