--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/TEST0000_compound_identification_output.tsv	Thu Jun 10 15:41:17 2021 +0000
@@ -0,0 +1,501 @@
+rowID_first	MZ_first	RT_first	compound
+0	474.34671140567497	11.4420366460235	Compound_3948
+1	553.543269502578	14.584385724776402	Compound_6473
+2	552.494521505721	15.361964781832302	Compound_7091
+3	396.274008860028	8.0763035254653	Compound_687
+4	801.689625980495	10.873359746769399	Compound_656
+5	579.52650120206	8.52665136775676	Compound_2345
+6	884.7775008126961	14.3755639146155	
+7	520.332281191103	14.616190912897698	Compound_5830
+8	419.318867483192	15.504117447623802	
+9	456.36532408282096	14.947356487565598	Compound_4288
+10	402.28850851880304	15.599335316606	Compound_1527
+11	565.417704243613	14.588351086090698	
+12	339.29334910649897	10.6850085000355	Compound_2379
+13	542.485625607512	15.211972703663001	
+14	751.56223344509	8.37155987014338	
+15	526.411236482926	14.7774219633552	Compound_3657
+16	638.611044895051	16.62158475319	
+17	402.314570490142	15.8052174909533	
+18	474.307743962767	14.183209915397802	Compound_2079
+19	678.680492648899	14.7688371499787	Compound_3796
+20	781.548009162648	5.945966665850509	
+21	760.589660387368	13.0734250590241	Compound_6649
+22	420.285369241395	13.081954187662802	
+23	568.34475001039	15.4693410818513	Compound_7096
+24	313.228292966515	15.5830645436418	
+25	563.40854472046	8.24540971662489	
+26	592.566492734795	7.656275770507589	Compound_4946
+27	678.474402056911	14.6078134784425	
+28	952.8296443178841	7.4312448491020895	Compound_3836
+29	925.765312900706	14.8259383608994	Compound_845
+30	376.30509209154195	15.0939587263775	Compound_2529
+31	390.291837530485	14.9221503408485	
+32	440.416047762168	6.164778866231849	
+33	521.310071347119	14.047338325484601	
+34	530.406666992552	10.4110262590233	
+35	648.440580587553	14.2402373517416	
+36	517.4003819879099	13.787258565570099	
+37	745.5977843631731	11.6845834336358	
+38	301.151514707867	13.375007760964	
+39	672.544366136131	7.63700470128358	
+40	432.277318721739	14.537233463561002	Compound_6925
+41	810.550708188387	14.490415078199801	Compound_4010
+42	898.7260760219591	15.7095272113591	Compound_3813
+43	678.689646144613	6.24876807119137	
+44	375.25646555140406	14.9128951488909	
+45	580.5589912598671	15.1978046639234	
+46	968.8642278496151	8.78568683813412	Compound_1659
+47	837.604763425069	8.3037515301396	
+48	604.406636467912	15.461246552533	
+49	593.680616497116	11.175946647530198	Compound_4223
+50	921.7313437791111	0.222818243431749	Compound_962
+51	751.555467927123	15.1671003427039	
+52	419.27139490665604	6.71059256223976	
+53	500.322780301399	8.407576632128661	
+54	664.449155665291	15.6535465575498	
+55	604.4442378887901	13.8609880549772	Compound_1952
+56	554.513350133367	15.0635745773946	Compound_3721
+57	487.382454494408	15.3882968911571	Compound_3577
+58	496.48293310952903	14.178117143149299	
+59	560.372600825014	15.1974991011197	
+60	636.44943924411	13.1333113475172	
+61	729.660485287456	15.6139778437943	Compound_2739
+62	974.917812327341	8.29547341748819	Compound_403
+63	492.884185113171	15.1052659262936	
+64	968.76699483672	14.721521638334501	Compound_743
+65	428.33766836175596	13.695051435113198	Compound_7165
+66	666.646979351574	15.1039923006876	
+67	358.36703697837095	15.4447610882876	Compound_3376
+68	429.296654965776	6.947050949077519	
+69	893.705495403283	14.896521688159401	
+70	356.907644298034	15.618939881033	
+71	637.5036997489959	14.2547009789224	
+72	510.423391403557	13.646334620845499	
+73	591.415860978761	15.3820032628282	
+74	371.073117533582	14.3048567139913	
+75	811.568618184324	14.8221198465415	
+76	874.7835437853239	8.173843956115169	
+77	524.466157385886	14.481155728532698	
+78	397.300132196033	15.7620299987762	
+79	958.8843466391189	15.312930102862598	
+80	610.574377168712	6.00455044443112	
+81	458.31688544049	14.7587472570733	Compound_2029
+82	462.373674373901	14.601324746193301	
+83	528.463357362613	14.473328985552401	Compound_7470
+84	624.545085231726	8.77791545438533	
+85	397.32541263228796	5.941139968773509	
+86	931.7756680876829	14.6517497613815	Compound_2595
+87	752.0841985510949	14.870180564177101	
+88	484.365466212461	15.5155410949155	
+89	540.462464548384	14.6474827205026	Compound_795
+90	663.461632969438	6.80236559250965	
+91	784.728105903552	14.9744835125651	Compound_6588
+92	580.534056075664	0.29555425469964003	
+93	624.588901365833	15.8141839837975	Compound_6127
+94	382.410712023751	14.958132296273902	
+95	460.322119915707	1.6422216145191002	Compound_7726
+96	909.781438104649	14.485378752596601	Compound_3503
+97	1006.8873190689999	7.09090052940138	
+98	537.395420019669	16.083824945276803	
+99	877.715472840132	15.045894854948699	Compound_5539
+100	512.425989235328	14.0973291194805	
+101	454.389197262706	14.894086434916801	Compound_4162
+102	607.571188771351	11.5993683373878	
+103	940.820052065801	11.488129034343801	
+104	429.346960570561	7.299038724632	
+105	556.449317909259	8.06596863954612	
+106	516.3972621251979	14.791703056061198	
+107	963.823125118848	14.414879933778401	
+108	540.462877259829	14.214092951494901	Compound_5625
+109	590.425042559633	15.9101217938053	
+110	335.22476513895197	14.4727420610098	
+111	566.511653851239	7.28039947047205	Compound_4337
+112	623.457682776317	15.130848980005199	
+113	424.366022800518	7.79617054105651	Compound_4907
+114	701.637140303726	15.1146210468916	
+115	651.656331034982	14.5583410265484	
+116	939.6728863212711	6.3618470674800705	Compound_6451
+117	608.522079282737	14.3465254634364	Compound_4504
+118	908.765929832521	6.7513347057034805	
+119	339.285934141394	16.712022760834902	Compound_4212
+120	793.793610885885	14.5335481945312	
+121	678.4749092903891	8.49502395996475	
+122	502.336177603849	9.48391005757069	
+123	594.584915865833	15.410428298259802	Compound_6648
+124	730.5476156521901	14.8448682991081	
+125	472.326464836411	8.15764675506168	
+126	311.29341717938	14.8780254142396	
+127	850.782568696499	0.346547404468878	Compound_4135
+128	767.534988734758	11.6090192994944	
+129	651.508104389207	15.461647594420599	
+130	931.7595226206979	13.8903709132054	Compound_72
+131	469.41078318382597	8.0964665932506	Compound_2933
+132	377.274697566812	9.343839138476289	
+133	652.6368939698381	8.43170016863244	
+134	384.34923000795	15.2233916562479	Compound_5892
+135	1054.28679910541	9.05757040002486	
+136	892.829743795416	16.238350117951402	Compound_7547
+137	612.531722105512	15.494795364084402	
+138	807.575826720483	12.799751586329698	Compound_1522
+139	834.7899731713111	7.88129001814847	Compound_1259
+140	540.466785203002	14.283585816433199	Compound_6019
+141	512.430804720143	1.92941712415619	Compound_1533
+142	583.54698096572	14.622149414477198	Compound_5341
+143	496.39640758918296	14.817823442417	
+144	1069.3051703474198	1.0720048063804	Compound_6640
+145	590.417147665688	6.15806507646342	
+146	853.815020036014	16.7515150795716	
+147	664.6536447354599	14.396484862536	Compound_2573
+148	928.835588023382	14.4394119385442	
+149	376.306559735979	14.2736092993981	Compound_3595
+150	339.2879172941	14.5777548075406	Compound_844
+151	934.782313466804	1.9098833835381699	Compound_453
+152	368.424843823314	6.74184683983313	Compound_6415
+153	386.287719726994	3.8899887171045093	Compound_7018
+154	604.404666721944	14.6698009416625	Compound_5622
+155	419.279027441484	14.530328773621301	Compound_1186
+156	486.347299232678	15.1633866512578	Compound_250
+157	486.39254983844705	9.899877148253749	
+158	341.400330714211	8.09228917528124	
+159	480.55304635066705	14.733517111052802	Compound_4700
+160	804.6233351773309	14.7955191327095	
+161	402.292869839696	15.318425326577401	
+162	428.34328251722803	14.317424451052402	
+163	430.386524973636	15.2798846965539	Compound_1282
+164	700.2364619043599	15.2974616546026	
+165	568.490288915538	6.938097504696491	Compound_3165
+166	592.424567913297	13.8991572052498	Compound_5193
+167	500.311022033451	15.908930500936902	
+168	316.20692385594896	11.4637144978225	
+169	330.22311331768503	5.0684876265604	
+170	486.33844254450304	15.091852443280699	
+171	465.42643886259003	15.0682052877735	
+172	398.763829729497	15.549985238752999	Compound_746
+173	1013.2220236101599	9.414629167348	
+174	400.30564756201596	7.976853185511559	Compound_4754
+175	568.494809707595	7.75779121429754	Compound_7062
+176	486.349488319254	14.1989861597662	
+177	482.34853486787904	15.394136523997801	Compound_6967
+178	440.29470696064203	14.447208808586199	
+179	356.919246414987	7.61511824819118	
+180	582.508850492893	7.572442243441469	Compound_3604
+181	949.798909357337	14.4228333477866	Compound_6097
+182	425.22493083289396	14.699504911328	
+183	440.375166609867	14.7264922169511	
+184	578.517778683645	14.791116094677301	
+185	444.325485206472	14.011372181284699	
+186	500.283992094834	15.4455461439488	Compound_6559
+187	880.745643357832	15.4151842646069	Compound_7761
+188	526.4489461153299	15.547848038009	Compound_4859
+189	510.449360064541	15.379005039307001	Compound_2731
+190	935.875649478409	0.329318496152521	
+191	663.452782982586	14.0071389659225	
+192	811.6064983446961	16.0157594623039	Compound_2950
+193	484.328404871206	7.54478726058396	Compound_738
+194	570.474713247564	13.477044343504	Compound_4160
+195	631.475430556793	15.466141437038699	
+196	778.90667665833	7.02317816314842	
+197	498.41535083433405	15.240462602853501	Compound_4030
+198	426.322722704132	14.4398260158265	Compound_3530
+199	594.506539685596	14.738596015611698	
+200	936.8023324069991	1.35035404581753	Compound_281
+201	930.854564689398	8.01029899896133	Compound_3324
+202	447.34353330553495	15.237013322762802	
+203	532.387721117762	13.615571854755	Compound_1956
+204	743.541889829669	15.389578864767401	
+205	663.457799215816	14.109623544647	
+206	496.40610114886397	8.359541980952999	
+207	944.723920068107	13.734394987049198	
+208	666.686998077672	4.86944432078458	Compound_7538
+209	590.4183428259739	14.2300157247944	
+210	819.568081774179	13.8770510220147	Compound_3438
+211	881.7425338569079	14.9512781474788	Compound_7682
+212	474.303558151584	8.18053612758359	Compound_4737
+213	874.970001069124	0.8369706812826679	
+214	768.5420288324249	15.154056403348	Compound_7308
+215	841.6977930767321	6.22496887768954	
+216	449.290962873795	5.826551847354879	Compound_3547
+217	894.850679472686	15.3412358491369	
+218	862.780003242076	6.93736921762656	
+219	447.356556640957	6.55637233728284	
+220	304.300114245517	6.0339169043444505	Compound_3849
+221	636.638996928863	15.4382730086795	
+222	356.24597817532697	14.185948041127201	Compound_2947
+223	371.297102346519	15.726938633935099	
+224	824.7688117306619	6.915902375318531	Compound_4193
+225	482.35613990005095	14.863257637895998	
+226	811.560412016203	7.79496289388855	
+227	664.6528536778679	15.378548506979302	
+228	665.0177789787069	7.5452501998111705	
+229	550.634906434852	15.1640461564816	
+230	779.596764625494	15.0987051751774	
+231	629.553489029145	14.4158246060778	Compound_501
+232	579.538609882983	14.3943321189112	
+233	458.39503084623	15.0022994059436	
+234	332.336646189458	13.8468875918615	
+235	370.30523851814905	8.074621092158491	
+236	610.5414367323381	14.0909495300219	
+237	867.737285634439	15.629878096821198	
+238	993.871060135012	15.103196543645302	Compound_4363
+239	811.6603411738071	15.233465589706599	
+240	312.316865718242	14.4075214704262	
+241	524.434480656888	6.464230471354161	
+242	967.709013421606	12.4348852740855	
+243	408.36503096733804	14.978151125829001	Compound_5769
+244	479.389264977141	7.84695042851156	
+245	442.288756497389	15.1607901157853	
+246	766.532310818772	6.06340435164659	
+247	912.79860228901	14.347469674957098	Compound_1035
+248	457.37009776175	7.64231501808758	Compound_7222
+249	546.393889832984	14.611720977112698	
+250	485.12016048135996	14.4592779501316	
+251	680.4791941670011	14.362829740471001	Compound_6053
+252	560.413347504597	14.830323243129401	
+253	399.25916448389097	8.20223249631104	
+254	484.444984784665	15.255155299602	
+255	432.275530919031	13.820265449073698	
+256	992.9580990494729	5.509070996513691	Compound_1053
+257	723.512263549046	6.731196229427531	
+258	975.739022563063	0.0645695697672762	
+259	610.574219768632	15.072943080762801	Compound_726
+260	582.465309712136	14.2899342355164	
+261	360.231307973326	15.2534670321187	
+262	724.520222500238	14.571922299621999	
+263	635.459119190854	7.37690229137134	
+264	700.628860982578	15.4035906031711	Compound_7704
+265	528.417629445505	15.062176798173699	
+266	526.485483078983	6.21626451815261	
+267	510.45688466299896	8.55773255507562	
+268	634.451903207016	14.6606500421333	Compound_4894
+269	901.989571551907	14.7945300801896	Compound_532
+270	460.364629102574	15.3890744453071	
+271	1015.0483015857599	7.7027052841626	
+272	356.34722203291	6.95433046154146	
+273	430.375297485611	14.376818556439499	
+274	412.26454399240305	14.4734005549324	
+275	414.352422056698	14.1757488900605	Compound_2174
+276	398.247023601914	14.0419771348562	
+277	568.484516392204	14.4280129280542	
+278	934.873717680606	8.167357278875441	Compound_817
+279	744.5484962936999	9.34131154125887	Compound_7369
+280	707.490188607391	14.6223666242167	Compound_7747
+281	1014.2327313334	15.1378545109304	
+282	666.64413637808	15.5135176484257	Compound_7647
+283	736.546909398825	15.8287712223889	Compound_1138
+284	810.552523695688	14.542725360950199	Compound_4010
+285	720.732594773069	15.121410043498301	Compound_579
+286	613.468411030981	15.4086854554825	
+287	612.550516501249	7.44140635085431	
+288	892.825620437293	13.9399191676997	
+289	550.519654282317	15.0472647797332	Compound_4026
+290	328.24561696002996	14.4640482357861	Compound_6787
+291	464.302336001009	9.77877196148022	
+292	964.92876639839	6.585405174251321	Compound_5820
+293	372.23396996882894	10.1301309130825	
+294	545.421512134423	12.957651421576701	
+295	526.407783850707	15.0269016167957	Compound_1191
+296	930.762610376452	14.801138853184199	
+297	335.223569893773	15.7993070069533	Compound_6239
+298	766.530612408795	14.984120141141501	Compound_3066
+299	432.288522140578	15.487211886716599	
+300	552.527189372531	15.2250972091891	
+301	355.289939764319	4.81476421087307	Compound_1076
+302	485.354230082481	14.219618925590401	
+303	485.392281907229	5.82758998615668	
+304	582.548776140286	14.733108159065402	Compound_1400
+305	458.308605245638	14.4988600902604	Compound_473
+306	560.379451036845	12.985054194165599	Compound_2815
+307	550.635561170473	13.521712737151198	
+308	554.471476904198	14.1408944733051	
+309	335.227044440419	15.2058217912533	
+310	678.682063598741	14.775571344663101	Compound_3796
+311	485.443358445909	8.310118860282989	Compound_411
+312	582.463972058327	15.809553045641199	
+313	663.454055389515	7.846518163235589	Compound_318
+314	880.81977591833	14.637154773540301	Compound_4475
+315	631.343020746132	14.872829476391699	
+316	1056.2980531425599	15.1780549138392	
+317	478.32548547372	14.319263571328001	
+318	456.30282919973604	14.447748853397501	
+319	923.7780833303999	14.501484232046002	Compound_378
+320	940.82583199824	15.286708810411598	
+321	766.53091261416	14.692032512709401	
+322	386.325333075989	15.746701082643302	Compound_919
+323	614.497411341969	14.4832680436267	Compound_5390
+324	374.242935521445	16.088321887584698	
+325	433.28945965759806	15.1578924595141	Compound_4944
+326	356.315909827979	15.0865967355302	Compound_5786
+327	304.299407653135	15.1447581783077	Compound_2321
+328	374.291288418099	6.61640934075103	Compound_73
+329	968.7596241922391	14.893361926496999	Compound_743
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