diff test-data/averageFragSpectra_output_intra.tsv @ 0:a141be614e76 draft

"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cb903cd93f9378cfb5eeb68512a54178dcea7bbc-dirty"
author computational-metabolomics
date Wed, 27 Nov 2019 12:41:53 -0500
parents
children
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/averageFragSpectra_output_intra.tsv	Wed Nov 27 12:41:53 2019 -0500
@@ -0,0 +1,3225 @@
+"grpid"	"fileid"	"filename"	"cl"	"mz"	"i"	"snr"	"rsd"	"count"	"total"	"inPurity"	"ra"	"frac"	"snr_pass_flag"	"minnum_pass_flag"	"minfrac_pass_flag"	"ra_pass_flag"	"pass_flag"	"method"	"avid"
+"12"	"1"	"LCMSMS_2.mzML"	1	112.050888061523	440629.6875	1	NA	1	1	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1
+"12"	"2"	"LCMSMS_1.mzML"	1	112.050880432129	565117.25	1.99119365130368	NA	1	1	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2
+"12"	"2"	"LCMSMS_1.mzML"	2	126.53768157959	2499.31469726562	0.00880634869631973	NA	1	1	1	0.442264803855417	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3
+"14"	"1"	"LCMSMS_2.mzML"	1	113.034782409668	13262784	1	NA	1	1	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	4
+"14"	"2"	"LCMSMS_1.mzML"	1	112.999992370605	67035.0703125	0.0166921251649536	NA	1	1	1	0.84163055956917	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	5
+"14"	"2"	"LCMSMS_1.mzML"	2	113.034805297852	7964904.5	1.98330787483505	NA	1	1	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	6
+"17"	"1"	"LCMSMS_2.mzML"	2	116.016784667969	5682.14404296875	1	71.4606063273013	3	3	1	3.81632335062543	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	7
+"17"	"1"	"LCMSMS_2.mzML"	3	116.070899963379	149471.265625	24.7461349458028	141.620390523092	3	3	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	8
+"17"	"1"	"LCMSMS_2.mzML"	4	116.10725402832	6152.61499023438	0.790986039739247	50.735778159677	2	3	0.975316120547933	4.81700933424858	0.666666666666667	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	9
+"17"	"2"	"LCMSMS_1.mzML"	2	116.016510009766	3662.43212890625	0.738786583000151	29.8076183488603	2	3	0.994688094344781	2.77138370920908	0.666666666666667	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	10
+"17"	"2"	"LCMSMS_1.mzML"	3	116.070892333984	165623.640625	14.5635358356945	140.530871323806	3	3	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	11
+"17"	"2"	"LCMSMS_1.mzML"	4	116.107261657715	6898.55065917969	0.956173791148399	91.7164137067514	2	3	0.994688094344781	4.63500954068241	0.666666666666667	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	12
+"41"	"1"	"LCMSMS_2.mzML"	3	132.102035522461	273406.25	1.94054572396439	152.255466714338	3	3	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	13
+"41"	"2"	"LCMSMS_1.mzML"	3	132.102035522461	402822.6875	1.93538926476893	141.682336268814	3	3	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	14
+"47"	"1"	"LCMSMS_2.mzML"	1	104.860054016113	30638.400390625	0.416467577099884	NA	1	2	1	0.0925886204295279	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	15
+"47"	"1"	"LCMSMS_2.mzML"	2	110.028198242188	67928.296875	0.923348897310881	NA	1	2	1	0.205277926249314	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	16
+"47"	"1"	"LCMSMS_2.mzML"	3	110.035266876221	733295.444335938	15.4010441134192	136.514245052138	2	2	1	4.20883163203569	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	17
+"47"	"1"	"LCMSMS_2.mzML"	4	110.559509277344	33952.66015625	0.461518288523181	NA	1	2	1	0.102604245773278	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	18
+"47"	"1"	"LCMSMS_2.mzML"	5	112.050758361816	37811.4998779297	0.952942592809956	133.732740851463	2	2	1	0.275269675890879	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	19
+"47"	"1"	"LCMSMS_2.mzML"	6	119.035530090332	552159.596679688	11.6096452941789	136.498762407513	2	2	1	3.17391657883486	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	20
+"47"	"1"	"LCMSMS_2.mzML"	7	127.993309020996	1960.09631347656	0.863760870096131	NA	1	2	1	0.312957948098884	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	21
+"47"	"1"	"LCMSMS_2.mzML"	8	128.045852661133	75962.28125	1.03255479463111	NA	1	2	1	0.229556462998942	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	22
+"47"	"1"	"LCMSMS_2.mzML"	9	136.124038696289	2269.25805664062	1	NA	1	2	1	0.362320126939825	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	23
+"47"	"1"	"LCMSMS_2.mzML"	10	137.045845031738	16858602.5	362.901649844943	136.167419329487	2	2	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	24
+"47"	"1"	"LCMSMS_2.mzML"	11	138.030548095703	43127.65234375	0.586233897612476	NA	1	2	1	0.130330884836075	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	25
+"47"	"1"	"LCMSMS_2.mzML"	12	154.112442016602	2006.76232910156	0.884325307661281	NA	1	2	1	0.320408857727935	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	26
+"47"	"2"	"LCMSMS_1.mzML"	1	109.06566619873	2550.77392578125	1	NA	1	2	1	0.305422285922778	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	27
+"47"	"2"	"LCMSMS_1.mzML"	2	110.035278320312	290341.673828125	9.0575810743588	122.34376464248	2	2	1	4.56340296514139	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	28
+"47"	"2"	"LCMSMS_1.mzML"	3	112.050743103027	12029.1610107422	0.53554640984846	112.604004094117	2	2	1	0.235270850433356	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	29
+"47"	"2"	"LCMSMS_1.mzML"	4	119.020355224609	16488.48828125	0.084047574849974	NA	1	2	1	0.135103681148777	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	30
+"47"	"2"	"LCMSMS_1.mzML"	5	119.035415649414	200743.407226562	6.96920537446945	119.770231773635	2	2	1	3.35889204889071	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	31
+"47"	"2"	"LCMSMS_1.mzML"	6	128.04508972168	18434.0234375	0.0939646460137461	NA	1	2	1	0.151045043202728	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	32
+"47"	"2"	"LCMSMS_1.mzML"	7	137.04581451416	6519742.5	194.812608265452	123.30562787239	2	2	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	33
+"47"	"2"	"LCMSMS_1.mzML"	8	138.029312133789	2125.6455078125	0.833333556662203	NA	1	2	1	0.254518639811929	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	34
+"47"	"2"	"LCMSMS_1.mzML"	9	159.283874511719	2343.61376953125	0.918785371703785	NA	1	2	1	0.280617528498179	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	35
+"48"	"1"	"LCMSMS_2.mzML"	3	110.060348510742	36283.7578125	4.68940544560033	157.998281406441	3	3	0.982863487460479	6.11593658626055	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	36
+"48"	"1"	"LCMSMS_2.mzML"	4	110.072189331055	8668.18530273438	0.231331574124235	96.8618285568104	2	3	0.954447805545062	0.306884209939177	0.666666666666667	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	37
+"48"	"1"	"LCMSMS_2.mzML"	14	138.054916381836	542459.3125	20.4294160787724	162.944887375264	3	3	0.982863487460479	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	38
+"48"	"2"	"LCMSMS_1.mzML"	2	110.060356140137	32966.80859375	1.90073991338438	154.093304068608	3	3	0.891554874127874	6.04811471842163	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	39
+"48"	"2"	"LCMSMS_1.mzML"	8	138.054885864258	367633.15625	31.4269818261716	161.294057435481	3	3	0.891554874127874	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	40
+"49"	"1"	"LCMSMS_2.mzML"	1	110.035133361816	4197.11962890625	1	NA	1	1	0.786277688323535	1.02653133134194	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	41
+"49"	"1"	"LCMSMS_2.mzML"	2	111.032066345215	2933.20043945312	0.698860337277902	NA	1	1	0.786277688323535	0.717402032447964	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	42
+"49"	"1"	"LCMSMS_2.mzML"	3	111.03865814209	19436.671875	4.63095493898636	NA	1	1	0.786277688323535	4.75382033890221	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	43
+"49"	"1"	"LCMSMS_2.mzML"	4	120.031585693359	3442.69409179688	0.820251600189444	NA	1	1	0.786277688323535	0.842013967177829	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	44
+"49"	"1"	"LCMSMS_2.mzML"	5	120.038940429688	10890.13671875	2.59466912588048	NA	1	1	0.786277688323535	2.66350915218193	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	45
+"49"	"1"	"LCMSMS_2.mzML"	6	131.267166137695	2650.74243164062	0.631562277468702	NA	1	1	0.786277688323535	0.648318465515296	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	46
+"49"	"1"	"LCMSMS_2.mzML"	7	138.049896240234	408864.25	97.4154387175636	NA	1	1	0.786277688323535	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	47
+"49"	"2"	"LCMSMS_1.mzML"	1	111.032066345215	4279.24560546875	0.225817337661053	NA	1	1	0.796822033254558	0.766026654858364	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	48
+"49"	"2"	"LCMSMS_1.mzML"	2	111.038848876953	24677.09765625	1.30221936474379	NA	1	1	0.796822033254558	4.41744090245077	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	49
+"49"	"2"	"LCMSMS_1.mzML"	3	120.038902282715	18950.03125	1	NA	1	1	0.796822033254558	3.39224021854404	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	50
+"49"	"2"	"LCMSMS_1.mzML"	4	137.396865844727	3584.59228515625	0.189160230812614	NA	1	1	0.796822033254558	0.641676942711624	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	51
+"49"	"2"	"LCMSMS_1.mzML"	5	138.05012512207	558628.8125	29.4790443947157	NA	1	1	0.796822033254558	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	52
+"51"	"1"	"LCMSMS_2.mzML"	1	108.959754943848	2408.8056640625	0.0170069383724454	NA	1	1	1	0.0909056422771568	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	53
+"51"	"1"	"LCMSMS_2.mzML"	2	114.089195251465	280537.40625	1.98068380959089	NA	1	1	1	10.5871691844636	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	54
+"51"	"1"	"LCMSMS_2.mzML"	3	140.068115234375	2649786.75	18.7083419097287	NA	1	1	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	55
+"51"	"1"	"LCMSMS_2.mzML"	4	143.032638549805	2735.88037109375	0.0193161904091102	NA	1	1	1	0.103249077349102	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	56
+"51"	"2"	"LCMSMS_1.mzML"	1	114.089164733887	856653.625	0.195125818563966	NA	1	1	1	10.8110482476244	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	57
+"51"	"2"	"LCMSMS_1.mzML"	2	140.068130493164	7923872	1.80487418143603	NA	1	1	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	58
+"62"	"1"	"LCMSMS_2.mzML"	1	100.021820068359	11993.6435546875	1.23895301810851	NA	1	2	0.983625855342406	1.11473260223304	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	59
+"62"	"1"	"LCMSMS_2.mzML"	2	101.070411682129	2306.69653320312	0.518099667665873	NA	1	2	1	0.175846530139216	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	60
+"62"	"1"	"LCMSMS_2.mzML"	3	102.055847167969	2466.92114257812	0.554087200344828	NA	1	2	1	0.188060942046438	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	61
+"62"	"1"	"LCMSMS_2.mzML"	4	108.055770874023	9930.2236328125	1.02580008187396	NA	1	2	0.983625855342406	0.922950893153297	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	62
+"62"	"1"	"LCMSMS_2.mzML"	5	118.065433502197	12587.3408203125	1.98142883431616	15.2475229112631	2	2	0.991812927671203	1.0760813440504	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	63
+"62"	"1"	"LCMSMS_2.mzML"	6	125.844314575195	2225.98388671875	0.229945924450392	NA	1	2	0.983625855342406	0.206890991820497	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	64
+"62"	"1"	"LCMSMS_2.mzML"	7	128.070991516113	7382.12426757812	1.07092590879994	44.02997102319	2	2	0.991812927671203	0.643644908381921	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	65
+"62"	"1"	"LCMSMS_2.mzML"	8	130.04956817627	23307.3033447266	5.04424512208074	122.340544087653	2	2	0.991812927671203	1.80306152665022	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	66
+"62"	"1"	"LCMSMS_2.mzML"	9	130.086532592773	3415.60205078125	0.584569429146013	16.7716095922357	2	2	0.991812927671203	0.285535648143351	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	67
+"62"	"1"	"LCMSMS_2.mzML"	10	146.028610229492	10309.349609375	1.06496409994433	NA	1	2	0.983625855342406	0.958188232373911	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	68
+"62"	"1"	"LCMSMS_2.mzML"	11	146.059936523438	9525.1728515625	0.983958010644421	NA	1	2	0.983625855342406	0.885304008838241	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	69
+"62"	"1"	"LCMSMS_2.mzML"	12	146.117546081543	1193844	202.887621677079	13.9690050910359	2	2	0.991812927671203	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	70
+"62"	"1"	"LCMSMS_2.mzML"	13	147.075866699219	2905.49487304688	0.652593831248423	NA	1	2	1	0.221494758590155	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	71
+"62"	"1"	"LCMSMS_2.mzML"	14	150.785629272461	2500.5302734375	0.258306786842625	NA	1	2	0.983625855342406	0.232408325790378	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	72
+"62"	"2"	"LCMSMS_1.mzML"	1	100.021903991699	25367.83984375	6.81426720180478	NA	1	2	0.837758373655053	9.15575739372545	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	73
+"62"	"2"	"LCMSMS_1.mzML"	2	108.055786132812	12792.4772949219	0.901382537179601	107.001384678385	2	2	0.918879186827526	0.626958354548494	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	74
+"62"	"2"	"LCMSMS_1.mzML"	3	112.465751647949	20960.951171875	0.901458216069784	NA	1	2	1	0.121438236059164	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	75
+"62"	"2"	"LCMSMS_1.mzML"	4	114.566963195801	2266.10009765625	0.608716062013064	NA	1	2	0.837758373655053	0.817880546859016	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	76
+"62"	"2"	"LCMSMS_1.mzML"	5	115.129852294922	2413.13818359375	0.648213189580546	NA	1	2	0.837758373655053	0.870949513344674	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	77
+"62"	"2"	"LCMSMS_1.mzML"	6	118.06534576416	21870.080078125	5.87470475590882	NA	1	2	0.837758373655053	7.89334640276808	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	78
+"62"	"2"	"LCMSMS_1.mzML"	7	128.070281982422	32862.80078125	1.41331571856681	NA	1	2	1	0.190392149960899	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	79
+"62"	"2"	"LCMSMS_1.mzML"	8	130.049789428711	2536.23486328125	0.681279216180058	NA	1	2	0.837758373655053	0.915377550660179	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	80
+"62"	"2"	"LCMSMS_1.mzML"	9	144.766357421875	23252.271484375	1	NA	1	2	1	0.134713105826042	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	81
+"62"	"2"	"LCMSMS_1.mzML"	10	146.028137207031	3722.75390625	1	NA	1	2	0.837758373655053	1.34361584636724	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	82
+"62"	"2"	"LCMSMS_1.mzML"	11	146.059906005859	12109.3056640625	3.25278166889641	NA	1	2	0.837758373655053	4.37048899510209	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	83
+"62"	"2"	"LCMSMS_1.mzML"	12	146.117530822754	8768827.90625	408.372153747299	136.952846982129	2	2	0.918879186827526	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	84
+"63"	"1"	"LCMSMS_2.mzML"	1	101.071262359619	3886.935546875	0.575281455611836	24.1290816440391	2	2	0.933138750000562	0.11682931875512	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	85
+"63"	"1"	"LCMSMS_2.mzML"	2	102.047164916992	3041.80541992188	0.228506556706815	NA	1	2	0.933453799267343	0.089498631282784	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	86
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+"391"	"1"	"LCMSMS_2.mzML"	24	165.054618835449	766630.6171875	27.9681334648884	102.33813694396	2	2	0.957615038981145	55.0398069608475	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1890
+"391"	"1"	"LCMSMS_2.mzML"	25	166.294631958008	4826.2314453125	0.156517146919553	NA	1	2	0.91523007796229	0.290878023794532	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1891
+"391"	"1"	"LCMSMS_2.mzML"	26	182.081176757812	412447.921875	17.6024924805482	42.563993472842	2	2	0.957615038981145	36.8809422233479	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1892
+"391"	"1"	"LCMSMS_2.mzML"	27	192.803115844727	2815.35791015625	0.173848575839033	NA	1	2	1	0.404482963478413	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1893
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+"391"	"1"	"LCMSMS_2.mzML"	31	212.064331054688	61784.80859375	2.00371285000367	NA	1	2	0.91523007796229	3.72378391461699	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1897
+"391"	"1"	"LCMSMS_2.mzML"	32	247.107452392578	215120.8125	13.2837273554271	NA	1	2	1	30.906444765687	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1898
+"391"	"1"	"LCMSMS_2.mzML"	33	248.091522216797	136433.484375	4.42460747285726	NA	1	2	0.91523007796229	8.22287591552345	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1899
+"391"	"1"	"LCMSMS_2.mzML"	34	248.334350585938	4942.72265625	0.160295016295223	NA	1	2	0.91523007796229	0.297898974532367	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1900
+"391"	"1"	"LCMSMS_2.mzML"	35	250.001190185547	4457.26806640625	0.144551476387881	NA	1	2	0.91523007796229	0.268640520325227	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1901
+"391"	"1"	"LCMSMS_2.mzML"	36	261.415008544922	3475.93676757812	0.214639373050957	NA	1	2	1	0.499388443487651	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1902
+"391"	"1"	"LCMSMS_2.mzML"	37	275.164428710938	4258.0537109375	0.138090853250201	NA	1	2	0.91523007796229	0.256633827590561	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1903
+"391"	"1"	"LCMSMS_2.mzML"	38	290.621398925781	4374.6171875	0.141871066236941	NA	1	2	0.91523007796229	0.263659133793406	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1904
+"391"	"1"	"LCMSMS_2.mzML"	39	293.112396240234	32461.78125	2.00451758518956	NA	1	2	1	4.66378979113859	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1905
+"391"	"1"	"LCMSMS_2.mzML"	40	294.096374511719	93190.0859375	3.02220200945647	NA	1	2	0.91523007796229	5.61658684252914	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1906
+"391"	"1"	"LCMSMS_2.mzML"	41	294.107330322266	3196.60620117188	0.197390688262832	NA	1	2	1	0.459256972145226	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1907
+"391"	"1"	"LCMSMS_2.mzML"	42	297.643768310547	3068.45141601562	0.189477120042608	NA	1	2	1	0.440844951742086	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1908
+"391"	"1"	"LCMSMS_2.mzML"	43	311.131652832031	58676.25390625	1.90290083627327	NA	1	2	0.91523007796229	3.5364306443474	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1909
+"391"	"1"	"LCMSMS_2.mzML"	44	311.13720703125	3376.45483398438	0.208496355705064	NA	1	2	1	0.485095856684601	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1910
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+"391"	"2"	"LCMSMS_1.mzML"	8	121.065002441406	12987.8896484375	0.610204150642016	NA	1	2	0.916979906668476	1.37214241179479	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1918
+"391"	"2"	"LCMSMS_1.mzML"	9	123.044254302979	208349.65625	12.679676337756	106.466411538435	2	2	0.958489953334238	23.8642465554846	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1919
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+"391"	"2"	"LCMSMS_1.mzML"	12	131.053527832031	22450.779296875	1.05479481909127	NA	1	2	0.916979906668476	2.37187620814076	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1922
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+"391"	"2"	"LCMSMS_1.mzML"	16	137.079238891602	73919.7890625	3.47294004811215	NA	1	2	0.916979906668476	7.8094656167473	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1926
+"391"	"2"	"LCMSMS_1.mzML"	17	147.043998718262	116102.9453125	7.68177607531393	93.0997360233177	2	2	0.958489953334238	13.6931260335713	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1927
+"391"	"2"	"LCMSMS_1.mzML"	18	147.076248168945	30451.986328125	1.43071191361341	NA	1	2	0.916979906668476	3.21718640173711	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1928
+"391"	"2"	"LCMSMS_1.mzML"	19	148.079696655273	18641.900390625	0.875843982519739	NA	1	2	0.916979906668476	1.96947640108012	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1929
+"391"	"2"	"LCMSMS_1.mzML"	20	153.065795898438	16919.931640625	2.69458472143662	NA	1	2	1	3.00489914477907	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1930
+"391"	"2"	"LCMSMS_1.mzML"	21	155.041900634766	2950.26489257812	0.46984461123025	NA	1	2	1	0.52395297102112	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1931
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+"391"	"2"	"LCMSMS_1.mzML"	23	165.054618835449	464759.328125	32.718427458992	82.4303122505173	2	2	0.958489953334238	56.0748539630589	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1933
+"391"	"2"	"LCMSMS_1.mzML"	24	173.486709594727	3112.88696289062	0.495742998726115	NA	1	2	1	0.55283387493866	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1934
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+"391"	"2"	"LCMSMS_1.mzML"	26	182.081199645996	293733.625	29.5026122003998	6.74852187943858	2	2	0.958489953334238	41.0947716132017	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1936
+"391"	"2"	"LCMSMS_1.mzML"	27	202.086235046387	92862.9609375	6.79174117520955	75.5310910184936	2	2	0.958489953334238	11.3672160104605	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1937
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+"391"	"2"	"LCMSMS_1.mzML"	29	212.064117431641	20118.21875	0.945205180908733	NA	1	2	0.916979906668476	2.12544623829331	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1939
+"391"	"2"	"LCMSMS_1.mzML"	30	212.546920776367	3294.35961914062	0.524643437408485	NA	1	2	1	0.585062552994139	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1940
+"391"	"2"	"LCMSMS_1.mzML"	31	215.030548095703	2844.96044921875	0.453074345829516	NA	1	2	1	0.505251404223281	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1941
+"391"	"2"	"LCMSMS_1.mzML"	32	219.112503051758	3053.4462890625	0.486276770674425	NA	1	2	1	0.542277494821712	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1942
+"391"	"2"	"LCMSMS_1.mzML"	33	220.097061157227	4142.263671875	0.194614102371577	NA	1	2	0.916979906668476	0.437621185494156	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1943
+"391"	"2"	"LCMSMS_1.mzML"	34	225.296691894531	3369.232421875	0.536567310068512	NA	1	2	1	0.598359605587634	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1944
+"391"	"2"	"LCMSMS_1.mzML"	35	246.04460144043	4092.14892578125	0.192259583900714	NA	1	2	0.916979906668476	0.432326671109378	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1945
+"391"	"2"	"LCMSMS_1.mzML"	36	247.107719421387	105158.956542969	16.5411587741465	136.487801941334	2	2	0.958489953334238	18.5437587151763	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1946
+"391"	"2"	"LCMSMS_1.mzML"	37	248.091094970703	87041.5234375	4.08943256506314	NA	1	2	0.916979906668476	9.19574843401847	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1947
+"391"	"2"	"LCMSMS_1.mzML"	38	266.758697509766	3608.98876953125	0.574749721498049	NA	1	2	1	0.640939189201189	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1948
+"391"	"2"	"LCMSMS_1.mzML"	39	293.114105224609	29779.12890625	4.74247694806341	NA	1	2	1	5.28863123582637	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1949
+"391"	"2"	"LCMSMS_1.mzML"	40	294.096649169922	58689.56640625	2.75738537898514	NA	1	2	0.916979906668476	6.20042557918949	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1950
+"391"	"2"	"LCMSMS_1.mzML"	41	311.13134765625	28442.384765625	1.33629571146145	NA	1	2	0.916979906668476	3.00487634911459	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1951
+"391"	"2"	"LCMSMS_1.mzML"	42	311.138702392578	3576.6796875	0.569604336714341	NA	1	2	1	0.635201250359214	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1952
+"391"	"2"	"LCMSMS_1.mzML"	43	313.788848876953	3409.77734375	0.160200028198705	NA	1	2	0.916979906668476	0.360235591368704	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1953
+"391"	"2"	"LCMSMS_1.mzML"	44	320.026641845703	3267.57104492188	0.153518813918231	NA	1	2	0.916979906668476	0.345211803892198	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1954
+"397"	"1"	"LCMSMS_2.mzML"	1	101.695213317871	3385.59912109375	0.886117945761705	NA	1	1	1	42.5119205789321	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1955
+"397"	"1"	"LCMSMS_2.mzML"	2	123.04426574707	3538.955078125	0.926256030855179	NA	1	1	1	44.4375638794043	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1956
+"397"	"1"	"LCMSMS_2.mzML"	3	126.253456115723	3662.13037109375	0.958494885388791	NA	1	1	1	45.9842379198567	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1957
+"397"	"1"	"LCMSMS_2.mzML"	4	136.07536315918	5355.38623046875	1.40167328604764	NA	1	1	1	67.2459278125178	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1958
+"397"	"1"	"LCMSMS_2.mzML"	5	145.595932006836	3384.28491210938	0.885773975869263	NA	1	1	1	42.4954184633627	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1959
+"397"	"1"	"LCMSMS_2.mzML"	6	165.05485534668	7963.8818359375	2.08439876085214	NA	1	1	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1960
+"397"	"1"	"LCMSMS_2.mzML"	7	182.080932617188	4217.93798828125	1.10396724828974	NA	1	1	1	52.9633421888249	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1961
+"397"	"1"	"LCMSMS_2.mzML"	8	183.308929443359	3979.28833007812	1.04150511461121	NA	1	1	1	49.966692274631	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1962
+"397"	"1"	"LCMSMS_2.mzML"	9	190.214126586914	3634.75854492188	0.951330816191097	NA	1	1	1	45.6405383681085	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1963
+"397"	"1"	"LCMSMS_2.mzML"	10	275.897308349609	4505.84912109375	1.17932266174676	NA	1	1	1	56.5785531970205	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1964
+"397"	"1"	"LCMSMS_2.mzML"	11	313.157958984375	4618.80029296875	1.20888554170194	NA	1	1	1	57.9968461124842	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1965
+"397"	"1"	"LCMSMS_2.mzML"	12	324.759063720703	3623.89794921875	0.948488256156673	NA	1	1	1	45.5041652283901	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1966
+"397"	"2"	"LCMSMS_1.mzML"	1	101.525428771973	4244.95068359375	1.02238552337514	NA	1	1	1	26.6274467644576	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1967
+"397"	"2"	"LCMSMS_1.mzML"	2	119.048828125	4152.005859375	1	NA	1	1	1	26.0444285992568	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1968
+"397"	"2"	"LCMSMS_1.mzML"	3	123.043998718262	4032.08984375	0.97111853410461	NA	1	1	1	25.2922273229025	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1969
+"397"	"2"	"LCMSMS_1.mzML"	4	124.907073974609	4038.091796875	0.972564089175648	NA	1	1	1	25.3298759787364	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1970
+"397"	"2"	"LCMSMS_1.mzML"	5	130.359146118164	3944.45581054688	0.950012101172861	NA	1	1	1	24.7425223374265	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1971
+"397"	"2"	"LCMSMS_1.mzML"	6	136.075454711914	9064.216796875	2.18309345021961	NA	1	1	1	56.8574214897498	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1972
+"397"	"2"	"LCMSMS_1.mzML"	7	150.716735839844	4027.36254882812	0.969979977204166	NA	1	1	1	25.2625742590027	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1973
+"397"	"2"	"LCMSMS_1.mzML"	8	165.054809570312	15942.01171875	3.83959277965705	NA	1	1	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1974
+"397"	"2"	"LCMSMS_1.mzML"	9	285.324310302734	4988.541015625	1.20147735446017	NA	1	1	1	31.2917911718619	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1975
+"397"	"2"	"LCMSMS_1.mzML"	10	313.157501220703	6084.83349609375	1.46551659659982	NA	1	1	1	38.1685423611698	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1976
+"397"	"2"	"LCMSMS_1.mzML"	11	329.386474609375	3902.72241210938	0.939960718816724	NA	1	1	1	24.4807398273283	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1977
+"407"	"2"	"LCMSMS_1.mzML"	1	100.000617980957	2764.93823242188	0.147140383925992	NA	1	2	1	1.38606291746914	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1978
+"407"	"2"	"LCMSMS_1.mzML"	2	101.071342468262	52776.33203125	2.80857259891906	NA	1	2	1	26.4567634425885	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1979
+"407"	"2"	"LCMSMS_1.mzML"	3	110.060340881348	24591.759765625	1.30868781475829	NA	1	2	1	12.3278436699781	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1980
+"407"	"2"	"LCMSMS_1.mzML"	4	111.924682617188	2987.87060546875	0.478464197201882	NA	1	2	0.964231982573396	3.08164779619813	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1981
+"407"	"2"	"LCMSMS_1.mzML"	5	113.071136474609	3521.54345703125	0.563924173957211	NA	1	2	0.964231982573396	3.63207048314389	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1982
+"407"	"2"	"LCMSMS_1.mzML"	6	113.107749938965	4745.8115234375	0.759972970876604	NA	1	2	0.964231982573396	4.89476337951337	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1983
+"407"	"2"	"LCMSMS_1.mzML"	7	116.03458404541	7157.07080078125	0.380874383761562	NA	1	2	1	3.58783799158318	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1984
+"407"	"2"	"LCMSMS_1.mzML"	8	118.086532592773	152523.0625	8.11674622986438	NA	1	2	1	76.4597771158532	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1985
+"407"	"2"	"LCMSMS_1.mzML"	9	124.039489746094	95420.796875	15.2802584186868	NA	1	2	0.964231982573396	98.415670298139	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1986
+"407"	"2"	"LCMSMS_1.mzML"	10	124.0751953125	5830.203125	0.933622578106723	NA	1	2	0.964231982573396	6.01318965374842	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1987
+"407"	"2"	"LCMSMS_1.mzML"	11	125.355590820312	2952.05908203125	0.157098303900199	NA	1	2	1	1.47986655752431	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1988
+"407"	"2"	"LCMSMS_1.mzML"	12	127.08674621582	14919.6650390625	0.793972616152065	NA	1	2	1	7.47922474694544	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1989
+"407"	"2"	"LCMSMS_1.mzML"	13	129.065933227539	16939.873046875	0.901481051022064	NA	1	2	1	8.49195456939446	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1990
+"407"	"2"	"LCMSMS_1.mzML"	14	129.102073669434	5174.90893554688	0.442131643457992	56.1840264008483	2	2	0.982115991286698	3.42085423842165	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1991
+"407"	"2"	"LCMSMS_1.mzML"	15	129.56950378418	3229.58862304688	0.171867459585849	NA	1	2	1	1.61899205435938	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1992
+"407"	"2"	"LCMSMS_1.mzML"	16	131.118225097656	17803.7077636719	1.2050704312186	103.142608056581	2	2	0.982115991286698	10.2022263817045	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1993
+"407"	"2"	"LCMSMS_1.mzML"	17	133.050811767578	7192.8984375	0.382781005819205	NA	1	2	1	3.60579837785659	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1994
+"407"	"2"	"LCMSMS_1.mzML"	18	133.060806274414	179811.671875	9.56895098914643	NA	1	2	1	90.1395508917966	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1995
+"407"	"2"	"LCMSMS_1.mzML"	19	138.091178894043	11768.0251464844	0.980184197832871	61.8594854085136	2	2	0.982115991286698	7.65403742618569	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1996
+"407"	"2"	"LCMSMS_1.mzML"	20	141.065505981445	5540.62353515625	0.887250601446474	NA	1	2	0.964231982573396	5.71452133014947	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1997
+"407"	"2"	"LCMSMS_1.mzML"	21	141.102127075195	18097.263671875	2.89801463238265	NA	1	2	0.964231982573396	18.6652636863104	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1998
+"407"	"2"	"LCMSMS_1.mzML"	22	141.112274169922	3000.49243164062	0.480485399832108	NA	1	2	0.964231982573396	3.09466577051582	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	1999
+"407"	"2"	"LCMSMS_1.mzML"	23	143.117965698242	4690.75146484375	0.429468875184521	39.99700439623	2	2	0.982115991286698	3.24310570617265	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2000
+"407"	"2"	"LCMSMS_1.mzML"	24	145.060546875	39804.20703125	6.37406717935053	NA	1	2	0.964231982573396	41.0535003265384	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2001
+"407"	"2"	"LCMSMS_1.mzML"	25	154.09748840332	199481.4375	10.6157074164181	NA	1	2	1	100	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2002
+"407"	"2"	"LCMSMS_1.mzML"	26	154.110397338867	6653.892578125	0.354096991052869	NA	1	2	1	3.33559486111333	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2003
+"407"	"2"	"LCMSMS_1.mzML"	27	155.015762329102	4930.830078125	0.262401605309512	NA	1	2	1	2.47182401526708	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2004
+"407"	"2"	"LCMSMS_1.mzML"	28	155.081466674805	134560.96875	7.16086615287089	NA	1	2	1	67.4553835366261	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2005
+"407"	"2"	"LCMSMS_1.mzML"	29	155.117683410645	9135.45166015625	0.834382699978224	40.5841026918945	2	2	0.982115991286698	6.30604398822435	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2006
+"407"	"2"	"LCMSMS_1.mzML"	30	155.152099609375	3026.45239257812	0.484642511537889	NA	1	2	0.964231982573396	3.12144050977863	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2007
+"407"	"2"	"LCMSMS_1.mzML"	31	157.133438110352	94024.890625	5.00367724057389	NA	1	2	1	47.1346566394179	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2008
+"407"	"2"	"LCMSMS_1.mzML"	32	158.092193603516	6244.7109375	1	NA	1	2	0.964231982573396	6.44070719234583	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2009
+"407"	"2"	"LCMSMS_1.mzML"	33	169.060424804688	5067.861328125	0.811544582102604	NA	1	2	0.964231982573396	5.22692102685753	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2010
+"407"	"2"	"LCMSMS_1.mzML"	34	170.044631958008	96956.9140625	15.5262453351148	NA	1	2	0.964231982573396	100	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2011
+"407"	"2"	"LCMSMS_1.mzML"	35	172.10791015625	36266.9609375	1.93000136263388	NA	1	2	1	18.1806194060036	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2012
+"407"	"2"	"LCMSMS_1.mzML"	36	178.415512084961	2798.56494140625	0.448149637255527	NA	1	2	0.964231982573396	2.88640059191885	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2013
+"407"	"2"	"LCMSMS_1.mzML"	37	182.092483520508	98820.796875	5.25889866961824	NA	1	2	1	49.5388433698248	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2014
+"407"	"2"	"LCMSMS_1.mzML"	38	182.128387451172	56813.08203125	3.02339437607427	NA	1	2	1	28.4803853146737	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2015
+"407"	"2"	"LCMSMS_1.mzML"	39	183.076568603516	32172.50390625	1.71210861823832	NA	1	2	1	16.1280690120603	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2016
+"407"	"2"	"LCMSMS_1.mzML"	40	183.112602233887	49895.705078125	4.69968696462378	33.0298564144091	2	2	0.982115991286698	35.1485489606732	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2017
+"407"	"2"	"LCMSMS_1.mzML"	41	185.128265380859	24880.546875	1.32405605902793	NA	1	2	1	12.4726125833137	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2018
+"407"	"2"	"LCMSMS_1.mzML"	42	186.08716583252	24211.0078125	2.03645672024213	59.6884464482259	2	2	0.982115991286698	15.8455841302798	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2019
+"407"	"2"	"LCMSMS_1.mzML"	43	187.071311950684	88360.20703125	9.31495947033689	3.32186384753377	2	2	0.982115991286698	67.1641165647821	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2020
+"407"	"2"	"LCMSMS_1.mzML"	44	189.123641967773	17734.556640625	0.94377134442281	NA	1	2	1	8.89032927719152	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2021
+"407"	"2"	"LCMSMS_1.mzML"	45	196.948913574219	2996.55834960938	0.479855413581243	NA	1	2	0.964231982573396	3.09060821353879	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2022
+"407"	"2"	"LCMSMS_1.mzML"	46	200.103057861328	19847.759765625	1.05622865557719	NA	1	2	1	9.94967753108607	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2023
+"407"	"2"	"LCMSMS_1.mzML"	47	200.139114379883	16344.5825195312	1.85942478780583	18.7504511635109	2	2	0.982115991286698	13.0999180380079	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2024
+"407"	"2"	"LCMSMS_1.mzML"	48	201.124221801758	4613.8994140625	0.738849157349407	NA	1	2	0.964231982573396	4.75871108179898	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2025
+"407"	"2"	"LCMSMS_1.mzML"	49	204.097801208496	76574.49609375	8.24985650685122	2.80499222712079	2	2	0.982115991286698	59.0848666642858	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2026
+"407"	"2"	"LCMSMS_1.mzML"	50	208.096878051758	5119.6318359375	0.272448977364583	NA	1	2	1	2.5664702942285	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2027
+"407"	"2"	"LCMSMS_1.mzML"	51	210.124572753906	14695.6591796875	0.782051804408926	NA	1	2	1	7.36693065974497	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2028
+"407"	"2"	"LCMSMS_1.mzML"	52	211.107757568359	18789.5859375	3.00888001471245	NA	1	2	0.964231982573396	19.3793151516641	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2029
+"407"	"2"	"LCMSMS_1.mzML"	53	225.123199462891	4797.7587890625	0.255320014721851	NA	1	2	1	2.4051154078246	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2030
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+"415"	"2"	"LCMSMS_1.mzML"	18	131.081161499023	3706.05786132812	0.745905862338425	NA	1	2	0.976040118953191	1.72171969171635	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2111
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+"415"	"2"	"LCMSMS_1.mzML"	20	138.090942382812	13147.5576171875	1.0084812401434	NA	1	2	1	0.855562731251256	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2113
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+"415"	"2"	"LCMSMS_1.mzML"	22	142.122909545898	6801.337890625	0.521695501954307	NA	1	2	1	0.442589520524997	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2115
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+"415"	"2"	"LCMSMS_1.mzML"	24	146.079727172852	3270.75537109375	0.250882751678096	NA	1	2	1	0.21284077849482	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	2117
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+"840"	"2"	"LCMSMS_1.mzML"	7	138.054565429688	21605.92578125	1	NA	1	2	1	1.70690931163862	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3186
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+"840"	"2"	"LCMSMS_1.mzML"	9	167.347625732422	4180.2548828125	0.19347723976911	NA	1	2	1	0.330248102152032	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3188
+"840"	"2"	"LCMSMS_1.mzML"	10	180.837631225586	3948.50952148438	0.182751230447665	NA	1	2	1	0.311939776964535	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3189
+"840"	"2"	"LCMSMS_1.mzML"	11	184.057907104492	8015.86474609375	0.371003067734781	NA	1	2	1	0.633268590962992	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3190
+"840"	"2"	"LCMSMS_1.mzML"	12	188.469665527344	3955.94091796875	1.00498481594461	NA	1	2	1	26.4057351699112	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3191
+"840"	"2"	"LCMSMS_1.mzML"	13	195.686859130859	3936.31909179688	1	NA	1	2	1	26.2747603256988	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3192
+"840"	"2"	"LCMSMS_1.mzML"	14	200.988327026367	3759.4541015625	0.955068431671875	NA	1	2	1	25.0941941368195	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3193
+"840"	"2"	"LCMSMS_1.mzML"	15	208.058547973633	55579.5703125	2.57242253237456	NA	1	2	1	4.39089197397914	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3194
+"840"	"2"	"LCMSMS_1.mzML"	16	226.046966552734	7511.52294921875	0.347660314363265	NA	1	2	1	0.593424627873867	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3195
+"840"	"2"	"LCMSMS_1.mzML"	17	226.068435668945	155661.140625	7.20455777738927	NA	1	2	1	12.2975267564642	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3196
+"840"	"2"	"LCMSMS_1.mzML"	18	236.14729309082	4748.50634765625	0.219777962570671	NA	1	2	1	0.375141050804842	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3197
+"840"	"2"	"LCMSMS_1.mzML"	19	244.78190612793	4454.5654296875	1.13165760341194	NA	1	2	1	29.7340323004033	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3198
+"840"	"2"	"LCMSMS_1.mzML"	20	276.721008300781	3612.77392578125	0.917805147786449	NA	1	2	1	24.1151102837815	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3199
+"840"	"2"	"LCMSMS_1.mzML"	21	279.094757080078	26303.89453125	1.21743890067775	NA	1	2	1	2.07805779591793	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3200
+"840"	"2"	"LCMSMS_1.mzML"	22	296.157531738281	4649.9521484375	1.18129451398587	NA	1	2	1	31.0382302290416	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3201
+"840"	"2"	"LCMSMS_1.mzML"	23	298.089416503906	625621.25	28.9560029194826	NA	1	2	1	49.4252710111	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3202
+"840"	"2"	"LCMSMS_1.mzML"	24	308.5830078125	4018.92358398438	1.02098521239288	NA	1	2	1	26.8261417517056	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3203
+"840"	"2"	"LCMSMS_1.mzML"	25	311.841857910156	3540.38208007812	0.899414401504221	NA	1	2	1	23.6318978330052	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3204
+"840"	"2"	"LCMSMS_1.mzML"	26	323.121215820312	485592.5	22.4749684376592	NA	1	2	1	38.3627329050245	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3205
+"840"	"2"	"LCMSMS_1.mzML"	27	351.116119384766	216191.140625	10.0061040111789	NA	1	2	1	17.0795121099059	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3206
+"840"	"2"	"LCMSMS_1.mzML"	28	368.143646240234	8117.44580078125	0.375704604512976	NA	1	2	1	0.641293687868704	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3207
+"840"	"2"	"LCMSMS_1.mzML"	29	369.124267578125	5257.81591796875	1.33571892810362	NA	1	2	1	35.095694698422	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3208
+"840"	"2"	"LCMSMS_1.mzML"	30	369.126617431641	931572.6875	43.1165364970584	NA	1	2	1	73.5960176324353	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3209
+"840"	"2"	"LCMSMS_1.mzML"	31	452.164489746094	61435.125	2.84343867612998	NA	1	2	1	4.85349195335964	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3210
+"840"	"2"	"LCMSMS_1.mzML"	32	480.157287597656	16194.7509765625	0.749551356443915	NA	1	2	1	1.27941618986548	0.5	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3211
+"840"	"2"	"LCMSMS_1.mzML"	33	498.169326782227	640386.810058594	31.1956772453617	138.112909456415	2	2	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3212
+"843"	"1"	"LCMSMS_2.mzML"	1	118.086380004883	7052.74462890625	1.30776735174961	NA	1	1	1	0.359882750868549	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3213
+"843"	"1"	"LCMSMS_2.mzML"	2	119.035583496094	4770.26611328125	0.88453483152334	NA	1	1	1	0.243413958898567	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3214
+"843"	"1"	"LCMSMS_2.mzML"	3	137.045806884766	1959734	363.387061089596	NA	1	1	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3215
+"843"	"1"	"LCMSMS_2.mzML"	4	143.80290222168	3752.88916015625	0.695885953146795	NA	1	1	1	0.19149992601834	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3216
+"843"	"1"	"LCMSMS_2.mzML"	5	185.164245605469	6015.66552734375	1.11546516847666	NA	1	1	1	0.306963369893248	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3217
+"843"	"1"	"LCMSMS_2.mzML"	6	188.177719116211	3627.47534179688	0.672630879308387	NA	1	1	1	0.18510039330832	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3218
+"843"	"1"	"LCMSMS_2.mzML"	7	231.17024230957	75057.1484375	13.9176013604237	NA	1	1	1	3.82996612996968	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3219
+"843"	"1"	"LCMSMS_2.mzML"	8	473.909973144531	4030.2705078125	0.747319868528105	NA	1	1	1	0.205653956496775	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3220
+"843"	"2"	"LCMSMS_1.mzML"	1	110.034912109375	5403.05908203125	0.126823062941211	NA	1	1	1	0.281201446822678	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3221
+"843"	"2"	"LCMSMS_1.mzML"	2	118.08659362793	4443.796875	0.104306823638177	NA	1	1	1	0.231276780739239	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3222
+"843"	"2"	"LCMSMS_1.mzML"	3	137.045791625977	1921419.375	45.1004304473527	NA	1	1	1	100	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3223
+"843"	"2"	"LCMSMS_1.mzML"	4	231.170379638672	79803.1953125	1.87317693705879	NA	1	1	1	4.15334602902607	1	TRUE	TRUE	TRUE	TRUE	TRUE	"intra"	3224