XiQ

as descriped in

Quantitative cross-linking/mass spectrometry using isotope-labelled cross-linkers.

(J Proteomics. 2013 Aug 2;88:120-8. doi: 10.1016/j.jprot.2013.03.005. Epub 2013 Mar 26.)

Minimalistic software for precursor ion quantitation

Download XiQ 32Bit (v0.2)

Download XiQ 64Bit (v0.2)

Download XiQ source (v0.2)

XiQ requires the Thermo MSFileReader library for accessing raw-files. link


Usage

   XiQ.exe csv-file rawfile1 [rawfile2] [rawfile3] ...

This will read the csv-file and read out intensities from the the given rawfiles as defined by the csv file

or

   XiQ.exe csv-file raw-directory

This will read the csv-file and read out intensities from rawfiles within the given directory as defined by the csv file


CSV-File-format:

The csv has to contain the following columns (in that order):

It can be followed by any number of columns.

An example would be:

			run_name,scan_number,precursor_mz,precursor_charge,label,label count,label status,expect shift,time window,id
			rawfile1,10579,403.7445,2,4.025106984,1,1,1,4,
			rawfile1,11220,406.7716,2,4.025106984,1,0,1,4,
			rawfile2,13517,407.2642,2,4.025106984,1,0,1,4,
			rawfile3,11130,408.7841,2,4.025106984,1,1,1,4,
		

The raw files used were

120114_08_Orbi2_ZC_QC_220_HSAd0-d4-1to4-1_Din.raw

120114_09_Orbi2_ZC_QC_220_HSAd0-d4-1to4-2_Din.raw

120114_10_Orbi2_ZC_QC_220_HSAd0-d4-1to4-3_Din.raw

120114_14_Orbi2_ZC_QC_220_HSAd0-d4-1to2-1_Din.raw

120114_15_Orbi2_ZC_QC_220_HSAd0-d4-1to2-2_Din.raw

120114_16_Orbi2_ZC_QC_220_HSAd0-d4-1to2-3_Din.raw

120114_18_Orbi2_ZC_QC_220_HSAd0-d4-1to1-1_Din.raw

120114_19_Orbi2_ZC_QC_220_HSAd0-d4-1to1-2_Din.raw

120114_20_Orbi2_ZC_QC_220_HSAd0-d4-1to1-3_Din.raw