================================================================================== Please cite this paper if using the data set: Jennifer Listgarten, Radford M. Neal, Sam T. Roweis, Peter Wong and Andrew Emili, Difference Detection in LC-MS Data for Protein Biomarker Discovery , ECCB 2006, to appear in Bioinformatics Sept. 2006. ================================================================================== Each LC-MS run (for one sample) is a space-delimited file with 4 columns and many rows which represents centroided data from the mass spec instrument. (sorry, we don't have the non-centroided raw data). The column headers (not included in the files) are as follows: Scan header #, time off LC column (minutes), ion abundance, m/z value Note that there is a one-to-one mapping between scan header# and time. The scan header is simply an enumeration of the discrete time points. Here is an example of the top of one *.dat file: 4 0.077667 1526.000000 728.437256 7 0.153833 1923.000000 928.458740 14 0.331833 1706.000000 1461.651855 67 1.679000 1547.000000 629.333008 74 1.857000 901.000000 735.229980 74 1.857000 2800.000000 1151.465332 78 1.958667 4571.000000 1391.465332 97 2.441667 2480.000000 748.681274 126 3.178833 1549.000000 1453.629639 217 5.492000 1151.000000 914.634521 267 6.763167 1393.000000 1238.154541 295 7.474833 1840.000000 1037.507324 334 8.466333 1531.000000 1195.863281 341 8.644167 2855.000000 1027.148438 343 8.695000 2878.000000 1014.502563 395 10.017667 2153129.000000 400.587158 395 10.017667 1448136.000000 401.578369 395 10.017667 1622639.000000 402.463806 395 10.017667 1936413.000000 403.458130 395 10.017667 1502605.000000 404.482117 395 10.017667 1260808.000000 405.275024 395 10.017667 1554544.000000 406.038635 395 10.017667 1461095.000000 406.964844 395 10.017667 1666354.000000 408.034363 395 10.017667 1382072.000000 409.032349 395 10.017667 1357195.000000 409.831726 395 10.017667 1057338.000000 410.687195 395 10.017667 1416154.000000 411.607422 395 10.017667 1550887.000000 412.767761 395 10.017667 645235.000000 413.676514