| mwcontam

## Function

Shows molwts that match across a set of files

## Description

mwcontam finds molecular weights that are common between a set of mass spectrometry result files. Such molecular weights are usually a form of contamination resulting from autolysis of a protease, degradation of the matrix or presence of keratin from the sample preparer.

The output of mwcontam, with minimal editing, can be added to the data file for the mwfilter program ('Emwfilter.dat').

## Usage

Here is a sample session with mwcontam

    % mwcontam
    Shows molwts that match across a set of files
    Comma-separated file list: ../../data/mw1.dat,../../data/mw2.dat,../../data/mw3.dat
    ppm tolerance [50.0]:
    Output file [outfile.mwcontam]:

Go to the input files for this example
Go to the output files for this example

## Command line arguments

       Mandatory qualifiers:
      [-files]             filelist   Comma separated file list
       -tolerance          float      ppm tolerance
      [-outfile]           outfile    Output file name

       Optional qualifiers: (none)
       Advanced qualifiers: (none)
       Associated qualifiers:
      "-outfile" related qualifiers
       -odirectory2         string     Output directory

       General qualifiers:
       -auto                boolean    Turn off prompts
       -stdout              boolean    Write standard output
       -filter              boolean    Read standard input, write standard output
       -options             boolean    Prompt for required and optional values
       -debug               boolean    Write debug output to program.dbg
       -acdlog              boolean    Write ACD processing log to program.acdlog
       -acdpretty           boolean    Rewrite ACD file as program.acdpretty
       -acdtable            boolean    Write HTML table of options
       -verbose             boolean    Report some/full command line options
       -help                boolean    Report command line options. More
                                      information on associated and general
                                      qualifiers can be found with -help -verbose
       -warning             boolean    Report warnings
       -error               boolean    Report errors
       -fatal               boolean    Report fatal errors
       -die                 boolean    Report deaths

Mandatory qualifiers | Allowed values | Default
--- | --- | ---
[-files] (Parameter 1) | Comma separated file list | Comma-separated file list | comma-separated file list
-tolerance | ppm tolerance | Any numeric value | 50.0
[-outfile] (Parameter 2) | Output file name | Output file | <sequence>.mwcontam
Optional qualifiers | Allowed values | Default
(none)
Advanced qualifiers | Allowed values | Default
(none)

## Input file format

### Input files for usage example

### File: ../../data/mw1.dat

    20.0
    33.0
    67.0
    128.0
    415.0
    999.0

### File: ../../data/mw2.dat

    13.0
    41.0
    67.0
    415.0
    846.0
    781.0

### File: ../../data/mw3.dat

    3.0
    18.0
    67.0
    124.0
    197.0
    236.0
    415.0
    587.0
    632.0

The input is a comma-separated list of files containing simple list of experimental molecular weights.

There should be one weight per line.

Comments in the data file start with a '#' character in the first column.

Blank lines are ignored.

## Output file format

The output is a list of the molecular weights common to all files.

### Output files for usage example

### File: outfile.mwcontam

    67.000
    415.000

## Data files

mwcontam uses no data files.

The output of mwcontam, with minimal editing, can be added to the data file for the mwfilter program ('Emwfilter.dat'). For example you might like to fetch 'Emwfilter.dat' using embossdata (as described in the mwfilter documentation) and edit it to include the lines:

    # data produced from the program mwcontam
    mwcontam	67.000
    mwcontam	415.000

## Notes

None.

## References

None.

## Warnings

None.

## Diagnostic Error Messages

None.

## Exit status

It always exits with status 0.

## Known bugs

None.

## See also

Program name | Description
--- | ---
backtranseq | Back translate a protein sequence
charge | Protein charge plot
checktrans | Reports STOP codons and ORF statistics of a protein
compseq | Counts the composition of dimer/trimer/etc words in a sequence
emowse | Protein identification by mass spectrometry
freak | Residue/base frequency table or plot
iep | Calculates the isoelectric point of a protein
mwfilter | Filter noisy molwts from mass spec output
octanol | Displays protein hydropathy
pepinfo | Plots simple amino acid properties in parallel
pepstats | Protein statistics
pepwindow | Displays protein hydropathy
pepwindowall | Displays protein hydropathy of a set of sequences

## Author(s)

Alan Bleasby (ableasby © hgmp.mrc.ac.uk)
HGMP-RC, Genome Campus, Hinxton, Cambridge CB10 1SB, UK

## History

Written (July 2002) - Alan Bleasby.

## Target users

This program is intended to be used by everyone and everything, from naive users to embedded scripts.

## Comments