# List of files belonging to RT/IP project

Folder ~/InSilicoSpectro/lib/InSilicoSpectro/InSilico

computeRT.pl # Command-line tool for computing RT
computeIP.pl # Command-line tool for computing IP

ExpCalibrator.pm # Package for calibration of the RT/IP predictor

IsoelPoint.pm # Package for IP prediction

RetentionTimer.pm # Base package for RT prediction

RetentionTimer/Hodges.pm # RT prediction by Hodges method
RetentionTimer/Petritis.pm # RT prediction by Petritis method
RetentionTimer/Krokhin.pm # Calls RT predicition by Krokhin method
RetentionTimer/contrib/* # Krokhin's code

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Folder ~/InSilicoSpectro/t/InSilico

testHodges.pl # Test of Hodges RT predictor
testPetritis.pl # Test of Petritis RT predictor
testKrokhin.pl # Test of Krokhin RT predictor

testIsoelPoint.pl # Test of IP predictor

examples_rt_ip # Usage examples for computeRT.pl and computeIP.pl

data/* # XML and raw data and config files for testing

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Folder cgi-bin

config/* # Folder with some config files: graphics, coefficients...
data/* # Folder with data from Phenyx server

rtcalc.pl # Full operative CGI front-end for RT prediction
rtcgi.pm # Package with CGI rutines

getdata.pl # Parse Phenyx server job files in folder $mydir and save retention time data in *.dat files

report.pl  # Generate a report in file 'report.txt'of the *.dat files in folder $mydir (for fast popup-menu in cgi)

rtHodges.pl # Old CGIs (may need some update)
rtKrokhin.pl
rtPetritis.pl

user/* # Folders where user information is stored
figs/*