diff test-data/out_test02.tabular @ 2:1276908e8fc4 draft

Master branch Updating - - Fxx
author fgiacomoni
date Mon, 20 Aug 2018 09:17:05 -0400
parents adf9ae010b1c
children
line wrap: on
line diff
--- a/test-data/out_test02.tabular	Tue Apr 11 04:09:58 2017 -0400
+++ b/test-data/out_test02.tabular	Mon Aug 20 09:17:05 2018 -0400
@@ -29,7 +29,7 @@
 705.5516421	22.05430833	403	"No_result_found_on LMDS"
 706.486163	16.19033333	301	"No_result_found_on LMDS"
 706.5393169	19.84415	301	"No_result_found_on LMDS"
-706.5701914	22.05519167	403	"No_result_found_on LMDS"
+706.5701914	22.05519167	403	-0.01::(PE-Cer_34:0)::(C38H79N2O7P)::LMSP03020095
 707.4316684	16.19166667	301	"No_result_found_on LMDS"
 715.3819207	21.911	403	"No_result_found_on LMDS"
 717.5543492	21.67066667	403	"No_result_found_on LMDS"
@@ -97,7 +97,7 @@
 776.5847226	14.15816667	301	"No_result_found_on LMDS"
 776.5750847	15.09305	301	"No_result_found_on LMDS"
 780.4962199	14.99343333	301	"No_result_found_on LMDS"
-781.4091561	14.99295	301	0.15::(PC_36:4)::(C44H80NO8P)::LMGP01010007|0.19::(PC-O_37:4)::(C45H84NO7P)::LMGP01020081
+781.4091561	14.99295	301	0.15::(PC_36:4)::(C44H80NO8P)::LMGP01010629|0.19::(PC-O_37:4)::(C45H84NO7P)::LMGP01020081
 783.4891798	14.81731667	301	0.09::(PC_36:3)::(C44H82NO8P)::LMGP01010622|0.12::(PC-P_37:2)::(C45H86NO7P)::LMGP01030084
 782.5399525	14.835	301	"No_result_found_on LMDS"
 784.5133131	14.98116667	301	"No_result_found_on LMDS"
@@ -138,8 +138,8 @@
 810.5688921	14.46783333	301	"No_result_found_on LMDS"
 811.595198	14.46725	301	0.01::(PC_38:3)::(C46H86NO8P)::LMGP01010795
 812.5993397	14.48616667	301	"No_result_found_on LMDS"
-813.6511631	19.81521667	301	-0.03::(PC_38:2)::(C46H88NO8P)::LMGP01010788|0.01::(PC-P_39:1)::(C47H92NO7P)::LMGP01030092|0.05::(-)::(C48H80NO7P)::LMGP01040098
-813.6088767	14.48990833	301	-0.04::(-)::(C48H80NO7P)::LMGP01040098|0.01::(PC_38:2)::(C46H88NO8P)::LMGP01010788|0.05::(PC-P_39:1)::(C47H92NO7P)::LMGP01030092
+813.6511631	19.81521667	301	-0.03::(PC_38:2)::(C46H88NO8P)::LMGP01010788|0.01::(PC-P_39:1)::(C47H92NO7P)::LMGP01030092|0.05::(-)::(C48H96NO6P)::LMGP01040098
+813.6088767	14.48990833	301	-0.04::(-)::(C48H96NO6P)::LMGP01040098|0.01::(PC_38:2)::(C46H88NO8P)::LMGP01010788|0.05::(PC-P_39:1)::(C47H92NO7P)::LMGP01030092
 814.6182954	19.807	301	"No_result_found_on LMDS"
 814.6028267	14.52321667	301	"No_result_found_on LMDS"
 815.6476325	19.67483333	301	-0.01::(PC_38:1)::(C46H90NO8P)::LMGP01010516|-0.07::(-)::(C48H82NO7P)::LMGP01080004|-0.10::(PC_39:8)::(C47H78NO8P)::LMGP01011580|0.03::(PC-O_39:1)::(C47H94NO7P)::LMGP01020233|0.03::(PC-P_39:0)::(C47H94NO7P)::LMGP01030069
@@ -273,19 +273,19 @@
 661.6413889	8.515091667	302	-0.14::(PE-O_31:1)::(C36H72NO7P)::LMGP02020026|-0.14::(PE-P_31:0)::(C36H72NO7P)::LMGP02030011|-0.17::(PE_30:1)::(C35H68NO8P)::LMGP02010387
 662.6406381	8.515575	302	"No_result_found_on LMDS"
 663.6788612	8.514583333	302	-0.16::(PE-O_31:0)::(C36H74NO7P)::LMGP02020025|-0.20::(PE-NMe2_28:0)::(C35H70NO8P)::LMGP02010316|-0.20::(PE_30:0)::(C35H70NO8P)::LMGP02010106
-689.6674887	8.3984	302	-0.13::(PE-O_33:1)::(C38H76NO7P)::LMGP02020028|-0.13::(PE-P_33:0)::(C38H76NO7P)::LMGP02030015|-0.17::(PE_32:1)::(C37H72NO8P)::LMGP02010372
+689.6674887	8.3984	302	-0.13::(PE-O_33:1)::(C38H76NO7P)::LMGP02020028|-0.13::(PE-P_33:0)::(C38H76NO7P)::LMGP02030015|-0.17::(PE_31:0)::(C37H72NO8P)::LMGP02011268|-0.17::(PE_32:1)::(C37H72NO8P)::LMGP02010372
 690.6423736	7.035325	302	"No_result_found_on LMDS"
 691.6374962	7.036	302	-0.09::(PE-O_33:0)::(C38H78NO7P)::LMGP02020042|-0.12::(PE_32:0)::(C37H74NO8P)::LMGP02010037
 693.6625488	7.053166667	302	"No_result_found_on LMDS"
 700.6431741	6.708483333	302	"No_result_found_on LMDS"
 702.6471547	6.6035	302	"No_result_found_on LMDS"
-703.6478799	6.612616667	302	-0.10::(PE-O_34:1)::(C39H78NO7P)::LMGP02020018|-0.10::(PE-P_34:0)::(C39H78NO7P)::LMGP02030018|-0.13::(PE_33:1)::(C38H74NO8P)::LMGP02010396
+703.6478799	6.612616667	302	-0.10::(PE-O_34:1)::(C39H78NO7P)::LMGP02020018|-0.10::(PE-P_34:0)::(C39H78NO7P)::LMGP02030018|-0.13::(PE_32:0)::(C38H74NO8P)::LMGP02011266|-0.13::(PE_33:1)::(C38H74NO8P)::LMGP02010396
 704.6480688	6.583916667	302	"No_result_found_on LMDS"
 705.6491361	6.586083333	302	-0.08::(PE-O_34:0)::(C39H80NO7P)::LMGP02020063|-0.12::(PE-NMe_32:0)::(C38H76NO8P)::LMGP02010337|-0.12::(PE_33:0)::(C38H76NO8P)::LMGP02010377
 706.6413333	6.601333333	302	"No_result_found_on LMDS"
 712.5760718	6.983	302	"No_result_found_on LMDS"
 714.60727	7.000033333	302	"No_result_found_on LMDS"
-715.6009081	7.000925	302	-0.05::(PE-O_35:2)::(C40H78NO7P)::LMGP02020046|-0.05::(PE-P_35:1)::(C40H78NO7P)::LMGP02030023|-0.08::(PE_34:2)::(C39H74NO8P)::LMGP02010042
+715.6009081	7.000925	302	-0.05::(PE-O_35:2)::(C40H78NO7P)::LMGP02020046|-0.05::(PE-P_35:1)::(C40H78NO7P)::LMGP02030023|-0.08::(PE_32:0)::(C39H74NO8P)::LMGP02011269|-0.08::(PE_34:2)::(C39H74NO8P)::LMGP02010042
 716.6251929	6.950833333	302	"No_result_found_on LMDS"
 717.6349722	6.950833333	302	-0.06::(PE-O_35:1)::(C40H80NO7P)::LMGP02020031|-0.06::(PE-P_35:0)::(C40H80NO7P)::LMGP02030022|-0.10::(PE_34:1)::(C39H76NO8P)::LMGP02010009
 718.6470633	6.9153	302	"No_result_found_on LMDS"
@@ -298,7 +298,7 @@
 728.6509264	6.499441667	302	"No_result_found_on LMDS"
 729.664288	6.501091667	302	-0.09::(PE-O_36:2)::(C41H80NO7P)::LMGP02020033|-0.09::(PE-P_36:1)::(C41H80NO7P)::LMGP02030004|-0.13::(PE_35:2)::(C40H76NO8P)::LMGP02010403|-0.15::(-)::(C43H72NO6P)::LMGP02040013
 730.6554785	6.879666667	302	"No_result_found_on LMDS"
-731.6533731	6.881666667	302	-0.07::(PE-O_36:1)::(C41H82NO7P)::LMGP02020032|-0.07::(PE-P_36:0)::(C41H82NO7P)::LMGP02030024|-0.10::(PE-NMe_34:1)::(C40H78NO8P)::LMGP02010339|-0.10::(PE_35:1)::(C40H78NO8P)::LMGP02010402|-0.12::(-)::(C43H74NO6P)::LMGP02040016|-0.20::(PE_36:8)::(C41H66NO8P)::LMGP02010754
+731.6533731	6.881666667	302	-0.07::(PE-O_36:1)::(C41H82NO7P)::LMGP02020032|-0.07::(PE-P_36:0)::(C41H82NO7P)::LMGP02030024|-0.10::(PE-NMe_34:1)::(C40H78NO8P)::LMGP02010339|-0.10::(PE_34:0)::(C40H78NO8P)::LMGP02011265|-0.10::(PE_35:1)::(C40H78NO8P)::LMGP02010402|-0.12::(-)::(C43H74NO6P)::LMGP02040016|-0.20::(PE_36:8)::(C41H66NO8P)::LMGP02010754
 732.6702711	6.862083333	302	"No_result_found_on LMDS"
 733.6610997	6.847333333	302	-0.06::(PE-O_36:0)::(C41H84NO7P)::LMGP02020009|-0.10::(PE_34:0)::(C40H80NO8P)::LMGP02010357|-0.10::(PE_35:0)::(C40H80NO8P)::LMGP02010171|-0.19::(PE_36:7)::(C41H68NO8P)::LMGP02010451
 734.662646	6.843875	302	"No_result_found_on LMDS"
@@ -308,7 +308,7 @@
 740.6190347	6.812358333	302	"No_result_found_on LMDS"
 741.6302658	6.812816667	302	-0.06::(PE-P_37:2)::(C42H80NO7P)::LMGP02030072|-0.10::(PE_36:3)::(C41H76NO8P)::LMGP02010048
 742.6442176	6.844341667	302	"No_result_found_on LMDS"
-743.6536264	6.830058333	302	-0.07::(PE-O_37:2)::(C42H82NO7P)::LMGP02020070|-0.07::(PE-P_37:1)::(C42H82NO7P)::LMGP02030051|-0.10::(PE_36:2)::(C41H78NO8P)::LMGP02010039|-0.16::(-)::(C43H70NO7P)::LMGP02080001
+743.6536264	6.830058333	302	-0.07::(PE-O_37:2)::(C42H82NO7P)::LMGP02020070|-0.07::(PE-P_37:1)::(C42H82NO7P)::LMGP02030051|-0.10::(PE_34:0)::(C41H78NO8P)::LMGP02011270|-0.10::(PE_36:2)::(C41H78NO8P)::LMGP02010039|-0.16::(-)::(C43H70NO7P)::LMGP02080001
 744.6629585	6.829416667	302	"No_result_found_on LMDS"
 745.6671442	6.829083333	302	-0.07::(PE-O_37:1)::(C42H84NO7P)::LMGP02020053|-0.07::(PE-P_37:0)::(C42H84NO7P)::LMGP02030029|-0.11::(PE-NMe2_34:1)::(C41H80NO8P)::LMGP02010322|-0.11::(PE_36:1)::(C41H80NO8P)::LMGP02010036|-0.17::(-)::(C43H72NO7P)::LMGP02080008
 746.6795971	6.811475	302	"No_result_found_on LMDS"