# HG changeset patch
# User galaxyp
# Date 1432977054 14400
# Node ID e3a05965ca0cfbf351c0f834c139c9f9853efcbc
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/spectrast2tsv commit d8b91dbe304c99bb5a46da25a5820005cde105c5-dirty
diff -r 000000000000 -r e3a05965ca0c spectrast2tsv.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/spectrast2tsv.xml Sat May 30 05:10:54 2015 -0400
@@ -0,0 +1,137 @@
+
+ Filter from spectraST files to swath input files
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+ msproteomicstools
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diff -r 000000000000 -r e3a05965ca0c test-data/labeling_file.txt
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/labeling_file.txt Sat May 30 05:10:54 2015 -0400
@@ -0,0 +1,4 @@
+# Labeling file, contains AA and mass shift
+K 8.014199 13C(6) 15N(2) Silac label
+R 10.008269 13C(6) 15N(4) Silac label
+
diff -r 000000000000 -r e3a05965ca0c test-data/spectrast2tsv_1_openswath_out.csv
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/spectrast2tsv_1_openswath_out.csv Sat May 30 05:10:54 2015 -0400
@@ -0,0 +1,41 @@
+PrecursorMz ProductMz Tr_recalibrated transition_name CE LibraryIntensity transition_group_id decoy PeptideSequence ProteinName Annotation FullUniModPeptideName PrecursorCharge PeptideGroupLabel UniprotID FragmentType FragmentCharge FragmentSeriesNumber LabelType
+1080.5866 1334.6793 103.50166666666668 36_y14_1_FAIPAINVTSSSTAVAALEAAR_2 -1 10000.0 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y14/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 14 light
+1080.5866 1547.7921 103.50166666666668 44_y16_1_FAIPAINVTSSSTAVAALEAAR_2 -1 5462.2 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y16/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 16 light
+1080.5866 1233.6333 103.50166666666668 33_y13_1_FAIPAINVTSSSTAVAALEAAR_2 -1 4287.7 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y13/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 13 light
+1080.5866 219.1128 103.50166666666668 6_b2_1_FAIPAINVTSSSTAVAALEAAR_2 -1 3759.1 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C b2/-0.00 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C b 1 2 light
+1080.5866 1146.6016 103.50166666666668 31_y12_1_FAIPAINVTSSSTAVAALEAAR_2 -1 2441.6 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y12/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 12 light
+1080.5866 701.3857 103.50166666666668 20_y7_1_FAIPAINVTSSSTAVAALEAAR_2 -1 2333.6 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y7/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 7 light
+1080.5866 500.283 103.50166666666668 15_b5_1_FAIPAINVTSSSTAVAALEAAR_2 -1 2313.6 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C b5/-0.00 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C b 1 5 light
+1080.5866 914.9837 103.50166666666668 25_y19_2_FAIPAINVTSSSTAVAALEAAR_2 -1 2305.2 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y19^2/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 2 19 light
+1080.5866 317.1925 103.50166666666668 8_y3_1_FAIPAINVTSSSTAVAALEAAR_2 -1 2146.7 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y3/-0.00 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 3 light
+1080.5866 86.0974 103.50166666666668 2_immonium0_1_FAIPAINVTSSSTAVAALEAAR_2 -1 2116.6 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C IIA/0.00,IIA/0.00,IIA/0.00,IIA/0.00,ILA/0.00,ILA/0.00,INA/-0.96,INA/-0.96 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C immonium 1 0 light
+1080.5866 1059.5675 103.50166666666668 29_y11_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1859.7 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y11/-0.01,p-44^2/0.98 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 11 light
+1080.5866 1828.9618 103.50166666666668 49_y19_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1744.1 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y19/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 19 light
+1080.5866 175.119 103.50166666666668 4_y1_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1740.9 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y1/0.00 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 1 light
+1080.5866 191.1182 103.50166666666668 5_a2_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1561.6 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C a2/0.00 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C a 1 2 light
+1080.5866 972.5362 103.50166666666668 28_y10_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1301.0 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y10/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 10 light
+1080.5866 871.4911 103.50166666666668 24_y9_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1283.8 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y9/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 9 light
+1080.5866 630.3522 103.50166666666668 19_y6_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1209.8 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y6/-0.00,a13^2/-0.99 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 6 light
+1080.5866 800.4553 103.50166666666668 22_y8_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1209.7 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y8/-0.01,b17^2/-0.98 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 8 light
+1080.5866 446.2322 103.50166666666668 12_y4_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1084.8 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y4/-0.00,b9-35^2/-0.52 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 4 light
+1080.5866 1660.8772 103.50166666666668 47_y17_1_FAIPAINVTSSSTAVAALEAAR_2 -1 892.9 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y17/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 17 light
+592.8115 244.166 67.73333333333333 58_y2_1_AAELDVLNDPK_2 -1 10000.0 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y2/0.00,a3/0.04 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 2 light
+592.8115 272.1222 67.73333333333333 59_b3_1_AAELDVLNDPK_2 -1 7172.4 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b3/-0.00,y5-44^2/0.45,y5-45^2/0.97 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 3 light
+592.8115 586.325 67.73333333333333 69_y5_1_AAELDVLNDPK_2 -1 5992.7 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y5/0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 5 light
+592.8115 800.3955 67.73333333333333 74_y7_1_AAELDVLNDPK_2 -1 5532.3 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y7/-0.02 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 7 light
+592.8115 143.0799 67.73333333333333 56_b2_1_AAELDVLNDPK_2 -1 5273.3 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b2/-0.00 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 2 light
+592.8115 913.4868 67.73333333333333 75_y8_1_AAELDVLNDPK_2 -1 3314.2 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y8/-0.01,a9/0.02 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 8 light
+592.8115 473.2253 67.73333333333333 64_y4_1_AAELDVLNDPK_2 -1 1982.7 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y4/-0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 4 light
+592.8115 685.3942 67.73333333333333 73_y6_1_AAELDVLNDPK_2 -1 1967.0 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y6/0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 6 light
+592.8115 592.8243 67.73333333333333 71_p0_2_AAELDVLNDPK_2 -1 1925.2 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W p^2/0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W p 2 0 light
+592.8115 115.0858 67.73333333333333 55_a2_1_AAELDVLNDPK_2 -1 1917.0 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W a2/-0.00,b3-44^2/0.52 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W a 1 2 light
+592.8115 1042.535 67.73333333333333 78_y9_1_AAELDVLNDPK_2 -1 1265.4 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y9/-0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 9 light
+592.8115 86.0978 67.73333333333333 53_immonium0_1_AAELDVLNDPK_2 -1 1028.0 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W ILA/0.00,ILA/0.00,ILA/0.00,ILA/0.00 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W immonium 1 0 light
+592.8115 72.0801 67.73333333333333 52_b1_1_AAELDVLNDPK_2 -1 891.7 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b1/0.04,b2^2/0.04,IVA/-0.00,IVA/-0.00 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 1 light
+592.8115 385.2171 67.73333333333333 62_b4_1_AAELDVLNDPK_2 -1 852.7 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b4/0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 4 light
+592.8115 500.2331 67.73333333333333 65_b5_1_AAELDVLNDPK_2 -1 803.0 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b5/-0.00,y9-44^2/0.45,y9-45^2/0.97 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 5 light
+592.8115 147.1098 67.73333333333333 57_y1_1_AAELDVLNDPK_2 -1 766.4 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y1/-0.00 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 1 light
+592.8115 599.3251 67.73333333333333 72_b6_1_AAELDVLNDPK_2 -1 653.8 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b6/0.02 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 6 light
+592.8115 343.1639 67.73333333333333 60_y6_2_AAELDVLNDPK_2 -1 638.2 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y6^2/-0.03,a7^2/0.46 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 2 6 light
+592.8115 557.2613 67.73333333333333 67_y10_2_AAELDVLNDPK_2 -1 598.7 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y10^2/-0.03 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 2 10 light
+592.8115 359.1833 67.73333333333333 61_y3_1_AAELDVLNDPK_2 -1 588.5 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y3/-0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 3 light
diff -r 000000000000 -r e3a05965ca0c test-data/spectrast2tsv_2_openswath_out.csv
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/spectrast2tsv_2_openswath_out.csv Sat May 30 05:10:54 2015 -0400
@@ -0,0 +1,76 @@
+PrecursorMz ProductMz Tr_recalibrated transition_name CE LibraryIntensity transition_group_id decoy PeptideSequence ProteinName Annotation FullUniModPeptideName PrecursorCharge PeptideGroupLabel UniprotID FragmentType FragmentCharge FragmentSeriesNumber LabelType
+1080.5866 1334.6793 103.50166666666668 36_y14_1_FAIPAINVTSSSTAVAALEAAR_2 -1 10000.0 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y14/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 14 light
+1085.5907345 1344.687569 103.50166666666668 36_y14_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 10000.0 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y14/-0.01 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 14 heavy
+1080.5866 1547.7921 103.50166666666668 44_y16_1_FAIPAINVTSSSTAVAALEAAR_2 -1 5462.2 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y16/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 16 light
+1085.5907345 1557.8003689999998 103.50166666666668 44_y16_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 5462.2 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y16/-0.01 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 16 heavy
+1080.5866 1233.6333 103.50166666666668 33_y13_1_FAIPAINVTSSSTAVAALEAAR_2 -1 4287.7 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y13/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 13 light
+1085.5907345 1243.641569 103.50166666666668 33_y13_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 4287.7 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y13/-0.01 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 13 heavy
+1080.5866 219.1128 103.50166666666668 6_b2_1_FAIPAINVTSSSTAVAALEAAR_2 -1 3759.1 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C b2/-0.00 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C b 1 2 light
+1085.5907345 219.1128 103.50166666666668 6_b2_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 3759.1 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C b2/-0.00 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C b 1 2 heavy
+1080.5866 1146.6016 103.50166666666668 31_y12_1_FAIPAINVTSSSTAVAALEAAR_2 -1 2441.6 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y12/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 12 light
+1085.5907345 1156.609869 103.50166666666668 31_y12_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 2441.6 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y12/-0.01 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 12 heavy
+1080.5866 701.3857 103.50166666666668 20_y7_1_FAIPAINVTSSSTAVAALEAAR_2 -1 2333.6 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y7/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 7 light
+1085.5907345 711.3939690000001 103.50166666666668 20_y7_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 2333.6 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y7/-0.01 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 7 heavy
+1080.5866 500.283 103.50166666666668 15_b5_1_FAIPAINVTSSSTAVAALEAAR_2 -1 2313.6 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C b5/-0.00 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C b 1 5 light
+1085.5907345 500.283 103.50166666666668 15_b5_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 2313.6 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C b5/-0.00 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C b 1 5 heavy
+1080.5866 914.9837 103.50166666666668 25_y19_2_FAIPAINVTSSSTAVAALEAAR_2 -1 2305.2 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y19^2/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 2 19 light
+1085.5907345 919.9878345 103.50166666666668 25_y19_2_FAIPAINVTSSSTAVAALEAAR_2heavy -1 2305.2 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y19^2/-0.01 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 2 19 heavy
+1080.5866 317.1925 103.50166666666668 8_y3_1_FAIPAINVTSSSTAVAALEAAR_2 -1 2146.7 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y3/-0.00 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 3 light
+1085.5907345 327.200769 103.50166666666668 8_y3_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 2146.7 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y3/-0.00 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 3 heavy
+1080.5866 86.0974 103.50166666666668 2_immonium0_1_FAIPAINVTSSSTAVAALEAAR_2 -1 2116.6 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C IIA/0.00,IIA/0.00,IIA/0.00,IIA/0.00,ILA/0.00,ILA/0.00,INA/-0.96,INA/-0.96 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C immonium 1 0 light
+1080.5866 1059.5675 103.50166666666668 29_y11_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1859.7 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y11/-0.01,p-44^2/0.98 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 11 light
+1085.5907345 1069.575769 103.50166666666668 29_y11_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 1859.7 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y11/-0.01,p-44^2/0.98 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 11 heavy
+1080.5866 1828.9618 103.50166666666668 49_y19_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1744.1 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y19/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 19 light
+1085.5907345 1838.970069 103.50166666666668 49_y19_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 1744.1 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y19/-0.01 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 19 heavy
+1080.5866 175.119 103.50166666666668 4_y1_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1740.9 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y1/0.00 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 1 light
+1085.5907345 185.127269 103.50166666666668 4_y1_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 1740.9 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y1/0.00 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 1 heavy
+1080.5866 191.1182 103.50166666666668 5_a2_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1561.6 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C a2/0.00 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C a 1 2 light
+1080.5866 972.5362 103.50166666666668 28_y10_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1301.0 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y10/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 10 light
+1085.5907345 982.544469 103.50166666666668 28_y10_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 1301.0 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y10/-0.01 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 10 heavy
+1080.5866 871.4911 103.50166666666668 24_y9_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1283.8 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y9/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 9 light
+1085.5907345 881.499369 103.50166666666668 24_y9_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 1283.8 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y9/-0.01 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 9 heavy
+1080.5866 630.3522 103.50166666666668 19_y6_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1209.8 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y6/-0.00,a13^2/-0.99 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 6 light
+1085.5907345 640.3604690000001 103.50166666666668 19_y6_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 1209.8 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y6/-0.00,a13^2/-0.99 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 6 heavy
+1080.5866 800.4553 103.50166666666668 22_y8_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1209.7 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y8/-0.01,b17^2/-0.98 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 8 light
+1085.5907345 810.463569 103.50166666666668 22_y8_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 1209.7 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y8/-0.01,b17^2/-0.98 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 8 heavy
+1080.5866 446.2322 103.50166666666668 12_y4_1_FAIPAINVTSSSTAVAALEAAR_2 -1 1084.8 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y4/-0.00,b9-35^2/-0.52 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 4 light
+1085.5907345 456.24046899999996 103.50166666666668 12_y4_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 1084.8 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y4/-0.00,b9-35^2/-0.52 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 4 heavy
+1080.5866 1660.8772 103.50166666666668 47_y17_1_FAIPAINVTSSSTAVAALEAAR_2 -1 892.9 1_FAIPAINVTSSSTAVAALEAAR_2 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y17/-0.01 FAIPAINVTSSSTAVAALEAAR 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 17 light
+1085.5907345 1670.8854689999998 103.50166666666668 47_y17_1_FAIPAINVTSSSTAVAALEAAR_2heavy -1 892.9 1_FAIPAINVTSSSTAVAALEAAR_2heavy 0 FAIPAINVTSSSTAVAALEAAR 1/YKL060C y17/-0.01 FAIPAINVTSSSTAVAALEAAR(13C(6) 15N(4) Silac label) 2 1_FAIPAINVTSSSTAVAALEAAR_2 1/YKL060C y 1 17 heavy
+592.8115 244.166 67.73333333333333 58_y2_1_AAELDVLNDPK_2 -1 10000.0 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y2/0.00,a3/0.04 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 2 light
+596.8185995 252.180199 67.73333333333333 58_y2_1_AAELDVLNDPK_2heavy -1 10000.0 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W y2/0.00,a3/0.04 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W y 1 2 heavy
+592.8115 272.1222 67.73333333333333 59_b3_1_AAELDVLNDPK_2 -1 7172.4 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b3/-0.00,y5-44^2/0.45,y5-45^2/0.97 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 3 light
+596.8185995 272.1222 67.73333333333333 59_b3_1_AAELDVLNDPK_2heavy -1 7172.4 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W b3/-0.00,y5-44^2/0.45,y5-45^2/0.97 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W b 1 3 heavy
+592.8115 586.325 67.73333333333333 69_y5_1_AAELDVLNDPK_2 -1 5992.7 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y5/0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 5 light
+596.8185995 594.339199 67.73333333333333 69_y5_1_AAELDVLNDPK_2heavy -1 5992.7 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W y5/0.01 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W y 1 5 heavy
+592.8115 800.3955 67.73333333333333 74_y7_1_AAELDVLNDPK_2 -1 5532.3 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y7/-0.02 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 7 light
+596.8185995 808.4096989999999 67.73333333333333 74_y7_1_AAELDVLNDPK_2heavy -1 5532.3 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W y7/-0.02 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W y 1 7 heavy
+592.8115 143.0799 67.73333333333333 56_b2_1_AAELDVLNDPK_2 -1 5273.3 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b2/-0.00 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 2 light
+596.8185995 143.0799 67.73333333333333 56_b2_1_AAELDVLNDPK_2heavy -1 5273.3 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W b2/-0.00 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W b 1 2 heavy
+592.8115 913.4868 67.73333333333333 75_y8_1_AAELDVLNDPK_2 -1 3314.2 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y8/-0.01,a9/0.02 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 8 light
+596.8185995 921.500999 67.73333333333333 75_y8_1_AAELDVLNDPK_2heavy -1 3314.2 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W y8/-0.01,a9/0.02 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W y 1 8 heavy
+592.8115 473.2253 67.73333333333333 64_y4_1_AAELDVLNDPK_2 -1 1982.7 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y4/-0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 4 light
+596.8185995 481.239499 67.73333333333333 64_y4_1_AAELDVLNDPK_2heavy -1 1982.7 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W y4/-0.01 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W y 1 4 heavy
+592.8115 685.3942 67.73333333333333 73_y6_1_AAELDVLNDPK_2 -1 1967.0 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y6/0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 6 light
+596.8185995 693.4083989999999 67.73333333333333 73_y6_1_AAELDVLNDPK_2heavy -1 1967.0 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W y6/0.01 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W y 1 6 heavy
+592.8115 592.8243 67.73333333333333 71_p0_2_AAELDVLNDPK_2 -1 1925.2 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W p^2/0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W p 2 0 light
+592.8115 115.0858 67.73333333333333 55_a2_1_AAELDVLNDPK_2 -1 1917.0 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W a2/-0.00,b3-44^2/0.52 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W a 1 2 light
+592.8115 1042.535 67.73333333333333 78_y9_1_AAELDVLNDPK_2 -1 1265.4 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y9/-0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 9 light
+596.8185995 1050.549199 67.73333333333333 78_y9_1_AAELDVLNDPK_2heavy -1 1265.4 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W y9/-0.01 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W y 1 9 heavy
+592.8115 86.0978 67.73333333333333 53_immonium0_1_AAELDVLNDPK_2 -1 1028.0 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W ILA/0.00,ILA/0.00,ILA/0.00,ILA/0.00 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W immonium 1 0 light
+592.8115 72.0801 67.73333333333333 52_b1_1_AAELDVLNDPK_2 -1 891.7 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b1/0.04,b2^2/0.04,IVA/-0.00,IVA/-0.00 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 1 light
+596.8185995 72.0801 67.73333333333333 52_b1_1_AAELDVLNDPK_2heavy -1 891.7 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W b1/0.04,b2^2/0.04,IVA/-0.00,IVA/-0.00 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W b 1 1 heavy
+592.8115 385.2171 67.73333333333333 62_b4_1_AAELDVLNDPK_2 -1 852.7 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b4/0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 4 light
+596.8185995 385.2171 67.73333333333333 62_b4_1_AAELDVLNDPK_2heavy -1 852.7 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W b4/0.01 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W b 1 4 heavy
+592.8115 500.2331 67.73333333333333 65_b5_1_AAELDVLNDPK_2 -1 803.0 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b5/-0.00,y9-44^2/0.45,y9-45^2/0.97 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 5 light
+596.8185995 500.2331 67.73333333333333 65_b5_1_AAELDVLNDPK_2heavy -1 803.0 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W b5/-0.00,y9-44^2/0.45,y9-45^2/0.97 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W b 1 5 heavy
+592.8115 147.1098 67.73333333333333 57_y1_1_AAELDVLNDPK_2 -1 766.4 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y1/-0.00 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 1 light
+596.8185995 155.123999 67.73333333333333 57_y1_1_AAELDVLNDPK_2heavy -1 766.4 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W y1/-0.00 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W y 1 1 heavy
+592.8115 599.3251 67.73333333333333 72_b6_1_AAELDVLNDPK_2 -1 653.8 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W b6/0.02 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W b 1 6 light
+596.8185995 599.3251 67.73333333333333 72_b6_1_AAELDVLNDPK_2heavy -1 653.8 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W b6/0.02 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W b 1 6 heavy
+592.8115 343.1639 67.73333333333333 60_y6_2_AAELDVLNDPK_2 -1 638.2 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y6^2/-0.03,a7^2/0.46 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 2 6 light
+596.8185995 347.1709995 67.73333333333333 60_y6_2_AAELDVLNDPK_2heavy -1 638.2 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W y6^2/-0.03,a7^2/0.46 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W y 2 6 heavy
+592.8115 557.2613 67.73333333333333 67_y10_2_AAELDVLNDPK_2 -1 598.7 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y10^2/-0.03 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 2 10 light
+596.8185995 561.2683995 67.73333333333333 67_y10_2_AAELDVLNDPK_2heavy -1 598.7 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W y10^2/-0.03 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W y 2 10 heavy
+592.8115 359.1833 67.73333333333333 61_y3_1_AAELDVLNDPK_2 -1 588.5 2_AAELDVLNDPK_2 0 AAELDVLNDPK 1/YPR041W y3/-0.01 AAELDVLNDPK 2 2_AAELDVLNDPK_2 1/YPR041W y 1 3 light
+596.8185995 367.197499 67.73333333333333 61_y3_1_AAELDVLNDPK_2heavy -1 588.5 2_AAELDVLNDPK_2heavy 0 AAELDVLNDPK 1/YPR041W y3/-0.01 AAELDVLNDPK(13C(6) 15N(2) Silac label) 2 2_AAELDVLNDPK_2 1/YPR041W y 1 3 heavy
diff -r 000000000000 -r e3a05965ca0c test-data/testlib.sptxt
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/testlib.sptxt Sat May 30 05:10:54 2015 -0400
@@ -0,0 +1,324 @@
+### SequestConsensusFiltered.sptxt (Text version of SequestConsensusFiltered.splib)
+### SpectraST (version 4.0, TPP v4.5 RAPTURE rev 1, Build 201111141620 (MinGW))
+###
+### COMPILE FROM "z:/html/Sorcerer_Searches/1201_YeastPostDiauxic/SequestConsensusLib.splib" ; FILTER for Protein!~reverse_
+### > SequestConsensusLib.splib : COMPILE FROM "/mnt/u07/lgillet/html/Sorcerer_Searches/1201_YeastPostDiauxic/SequestConsensusLib2.splib" [CONSENSUS;r=1;I=;_QUO=0.6;_XNR=100;_WGT=SN;_DIS=TRUE;_XPK=150;_XPU=300;_BDN=FALSE;_TBD=FALSE]
+### > > SequestConsensusLib2.splib : IMPORT FROM PepXML "/mnt/u07/lgillet/html/Sorcerer_Searches/1201_YeastPostDiauxic/interact-SequestAllCombined.pep.xml", (SEQUEST against "/IMSB/users/lgillet/html/databases/SGD_decoy.fasta" (AA); ) [P=0.7;n=;g=FALSE;o=FALSE;I=;_RNT=0;_RDR=100000;_DCN=0;_NAA=6;_NPK=10;_MDF=9999;_CEN=FALSE;_XAN=FALSE;_BRK=FALSE;_BRM=FALSE]
+### ===
+Name: FAIPAINVTSSSTAVAALEAAR/2
+LibID: 3829
+MW: 2161.1731
+PrecursorMZ: 1080.5866
+Status: Normal
+FullName: K.FAIPAINVTSSSTAVAALEAAR.D/2
+Comment: AvePrecursorMz=1081.2350 BestRawSpectrum=lgillet_L120122_003.21975.21975 BinaryFileOffset=24442137 CollisionEnergy=0.0 ConsFracAssignedPeaks=0.720 DeltaCn=0.6150 DotConsensus=0.93,0.01;0/100 FracUnassigned=0.38,2/5;0.33,5/20;0.35,328/558 Inst=0 MassDiff=-0.0281 MassDiffCounts=1/0:100 MaxRepSN=31.9 Mods=0 NAA=22 NMC=0 NTT=2 Nreps=100/200 OrigMaxIntensity=9.7e+03 Parent=1080.59 Pep=Tryptic PrecursorIntensity=0 Prob=1.0000 ProbRange=1,1,1,1 Protein=1/YKL060C RepFracAssignedPeaks=0.433 RepNumPeaks=455.3/66.5 RetentionTime=6210.1,8377.0,5782.0 SN=200.0 Sample=1/_mnt_u07_lgillet_html_Sorcerer_Searches_1201_YeastPostDiauxic_interact-SequestAllCombined,100,200 Se=1^S100:dc=0.6250/0.0232,fv=7.2567/0.2167,pb=1.0000/0.0000,xc=4.6179/0.1759 Spec=Consensus TotalIonCurrent=1.8e+05 XCorr=5.1460
+NumPeaks: 150
+70.0666 1347.0 IPA/0.00,IPA/0.00,y1-35^2/-0.48 100/60 0.0013|0.29
+86.0974 2116.6 IIA/0.00,IIA/0.00,IIA/0.00,IIA/0.00,ILA/0.00,ILA/0.00,INA/-0.96,INA/-0.96 100/60 0.0014|0.26
+120.0812 737.8 a1/0.00,IFA/0.00,IFA/0.00 100/60 0.0019|0.33
+141.1028 1862.0 y3-35^2/-0.48 100/60 0.0015|0.24
+157.1336 386.9 y1-18/0.03 100/60 0.0060|0.38
+158.0930 357.7 y1-17/0.00,b3-17^2/0.00 100/60 0.0027|0.40
+169.0976 8114.0 ? 100/60 0.0013|0.24
+175.1190 1740.9 y1/0.00 100/60 0.0017|0.29
+185.1272 413.9 ? 100/60 0.0091|0.33
+186.1238 1035.1 ? 100/60 0.0024|0.31
+191.1182 1561.6 a2/0.00 100/60 0.0021|0.26
+211.1433 414.0 y2-35/0.02 100/60 0.0073|0.34
+212.1036 340.2 y2-35i/-0.02 99/60 0.0039|0.37
+214.1188 856.4 y4-18^2/-0.50,y4-17^2/-0.99 100/60 0.0031|0.29
+219.1128 3759.1 b2/-0.00 100/60 0.0018|0.27
+228.1344 1305.7 y2-18/-0.01 100/60 0.0029|0.29
+238.1186 368.5 ? 98/60 0.0045|0.39
+245.1286 497.6 ? 100/60 0.0041|0.38
+246.1566 447.3 y2/0.00 100/60 0.0044|0.34
+254.1865 1300.0 ? 100/60 0.0030|0.27
+282.1809 5129.8 y3-35/0.02 100/60 0.0021|0.26
+283.1403 495.2 y3-35i/-0.02 100/60 0.0043|0.34
+287.1749 639.3 ? 98/60 0.0039|0.32
+297.1564 353.5 y6-36^2/-0.52 84/60 0.0056|0.37
+299.1732 585.8 y3-18/-0.01,b6-17^2/0.50 99/60 0.0073|0.36
+299.1927 316.3 ? 77/60 0.0170|0.41
+314.1772 345.0 ? 85/60 0.0075|0.39
+315.1662 353.7 b3-17/-0.00 84/60 0.0054|0.37
+316.1644 944.5 y6^2/0.48 100/60 0.0040|0.31
+317.1925 2146.7 y3/-0.00 100/60 0.0037|0.29
+327.2019 485.9 y7-46^2/-1.00 97/60 0.0051|0.37
+332.1963 828.6 b3/-0.00,y7-36^2/-0.99 100/60 0.0044|0.31
+351.2019 609.3 y7^2/0.00,a7^2/0.99 100/60 0.0053|0.35
+351.2025 308.8 ? 61/60 0.0146|0.39
+353.2174 482.9 ? 94/60 0.0054|0.36
+359.2052 338.8 ? 90/60 0.0069|0.37
+365.1826 391.7 b7^2/0.97 91/60 0.0071|0.43
+368.2269 589.2 ? 99/60 0.0057|0.33
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+379.2018 384.9 ? 74/60 0.0159|0.43
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+
+Name: AAELDVLNDPK/2
+LibID: 43
+MW: 1185.6230
+PrecursorMZ: 592.8115
+Status: Normal
+FullName: K.AAELDVLNDPK.I/2
+Comment: AvePrecursorMz=593.1632 BinaryFileOffset=265269 CollisionEnergy=0.0 DeltaCn=0.4290 FracUnassigned=0.21,1/5;0.45,11/20;0.37,76/150 MassDiff=-0.0185 Mods=0 NAA=11 NMC=0 NTT=2 Nreps=1/1 OrigMaxIntensity=3.8e+03 Parent=592.811 Pep=Tryptic PrecursorIntensity=0 Prob=1.0000 Protein=1/YPR041W RawSpectrum=lgillet_L120124_003.14730.14730 RetentionTime=4064.0,4064.0,4064.0 Sample=1/_mnt_u07_lgillet_html_Sorcerer_Searches_1201_YeastPostDiauxic_interact-SequestAllCombined,1,1 Se=1^S1:pb=1.0000/0,fv=5.1761/0,xc=3.2380/0,dc=0.4290/0 Spec=Single TotalIonCurrent=7.1e+04 XCorr=3.2380
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diff -r 000000000000 -r e3a05965ca0c tool_dependencies.xml
--- /dev/null Thu Jan 01 00:00:00 1970 +0000
+++ b/tool_dependencies.xml Sat May 30 05:10:54 2015 -0400
@@ -0,0 +1,6 @@
+
+
+
+
+
+