name short t0set num nMapped nPastEnd nGenic nUsed gMed gMedt0 gMean cor12 mad12 mad12c mad12c_t0 opcor adjcor gccor maxFit u set1H1 Time0 8/18/2013 MR1_ML3_set1 1 6033922 2730 3942961 3940595 482 593.5 1041.93416181914 -0.0015077704561525 0.166751293843883 0.883813197570138 0.891870756814062 0.032904251762013 0.0728813528208241 0.0160999668073085 1.08473872510484 FALSE set1H2 Time0 8/18/2013 MR1_ML3_set1 2 7376953 3280 4827942 4824747 593.5 482 1275.7131147541 -0.0015077704561525 0.166751293843883 0.891870756814062 0.883813197570138 0.032904251762013 0.0728813528208241 -0.0160999668073085 1.54465417991362 FALSE set1H3 Nickel (II) chloride 0.4 mM 8/18/2013 MR1_ML3_set1 3 7199468 1684 5035471 5031886 359 1080 1330.48281332628 0.376794926357561 0.263153991253945 0.974013129057474 0.894524663184081 0.279781185106143 0.0417592983222621 -0.00589548219604242 11.5303721501197 TRUE set1H4 Cobalt chloride 0.04 mM 8/18/2013 MR1_ML3_set1 4 5469344 2273 3566828 3564713 456 1080 942.54706504495 0.33308182500768 0.187032831010844 0.911161029874816 0.894524663184081 0.312467639889988 0.024214960643813 -0.0437594839039737 2.8908971200637 TRUE set1H5 copper (II) chloride 0.32 mM 8/18/2013 MR1_ML3_set1 5 7661805 3273 4996837 4993595 641.5 1080 1320.35827604442 0.251391398456052 0.151892024368027 0.893847446111819 0.894524663184081 0.274963238818795 0.0389479658127486 -0.0730522460213435 1.04106036321691 TRUE set1H6 copper (II) chloride 0.64 mM 8/18/2013 MR1_ML3_set1 6 6748968 2946 4394853 4392255 560 1080 1161.35774722369 0.269583743895873 0.153907975396268 0.893933575709505 0.894524663184081 0.293968369052459 0.0130739850338506 -0.0735050696665359 1.1924988149552 TRUE set1H7 sodium fluoride 50 mM 8/18/2013 MR1_ML3_set1 7 7700312 3415 4998624 4995529 629 1080 1320.86964569011 0.285034961838651 0.145699240584747 0.881168964188098 0.894524663184081 0.254523426942427 0.0463173587248012 -0.0611724572237556 1.19207547445951 TRUE set1H8 sodium fluoride 100 mM 8/18/2013 MR1_ML3_set1 8 7193950 3448 4632552 4629242 561.5 1080 1224.019566367 0.278070218052998 0.156132614833541 0.895777856451914 0.894524663184081 0.31963211769967 0.0178813204931645 -0.052517645764266 1.94567664847665 TRUE set1H9 Paraquat dichloride 0.125 mg/ml 8/18/2013 MR1_ML3_set1 9 5105828 2151 3333811 3331766 433 1080 880.95346377578 0.252843082253495 0.152955500793514 0.893084796083488 0.894524663184081 0.309181507877223 0.0604375605758122 -0.0146598777712833 1.05544126982422 TRUE set1H10 Paraquat dichloride 0.25 mg/ml 8/18/2013 MR1_ML3_set1 10 7269262 2931 4741364 4738412 595 1080 1252.88524590164 0.393114238111955 0.158111136625209 0.899272107597627 0.894524663184081 0.403825448248503 0.0219859819164559 -0.0153204163638945 1.09428071513893 TRUE set1H11 Paraquat dichloride 0.5 mg/ml 8/18/2013 MR1_ML3_set1 11 6910665 3064 4502908 4500309 557 1080 1189.92834479112 0.440592619730285 0.218880414067548 0.905225198342353 0.894524663184081 0.421057794860281 0.0371234110991465 4.60810115273695e-05 2.54601351860272 TRUE set1H12 Thallium(I) acetate 0.008 mg/ml 8/18/2013 MR1_ML3_set1 12 6944774 2888 4524935 4522020 581 1080 1195.66895822316 0.252933889016258 0.155836455061254 0.887350954527443 0.894524663184081 0.259528212308835 0.00423277217899023 -0.0209595955768098 0.932112115994783 TRUE set1H13 Cisplatin 0.00625 mg/ml 8/18/2013 MR1_ML3_set1 13 4965075 1746 3371549 3369842 267 1080 891.021152829191 0.200206244313575 0.567702964389811 1.16532265599424 0.894524663184081 0.344898846527084 0.0753168635993109 -0.0462759407774891 6.69501872332343 FALSE set1H14 Zinc 0.625 mM 8/18/2013 MR1_ML3_set1 14 3109271 1279 2032899 2031757 264.5 1080 537.217609730301 0.201688697350712 0.181975462737067 0.905334758112167 0.894524663184081 0.244411638234366 0.0490610134318527 -0.0524698446894501 1.42480579197529 TRUE set1H15 LB 8/18/2013 MR1_ML3_set1 15 4118525 1587 2688071 2686335 351 1080 710.294817556848 0.209915806693762 0.154999796127278 0.889922120112224 0.894524663184081 0.267253145313988 0.0397481360736468 -0.033660813896905 0.969264612063216 TRUE set1H16 nitrite 2.5 mM 8/18/2013 MR1_ML3_set1 16 6148887 2670 4007114 4004632 518 1080 1058.86620835537 0.238715192993075 0.155102507577298 0.886253353485344 0.894524663184081 0.291360816499338 0.0492049184250114 -0.0691639518470948 1.14371882340847 TRUE set1H17 nitrite 5 mM 8/18/2013 MR1_ML3_set1 17 4179055 1664 2728703 2727140 355 1080 721.084082496034 0.278037558206682 0.169761789609565 0.896832700567275 0.894524663184081 0.363724499956147 0.032801553818666 -0.0681171413073556 1.37734588975447 TRUE set1H18 nitrite 10 mM 8/18/2013 MR1_ML3_set1 18 3788716 1581 2470890 2469421 314 1080 652.940507667901 0.307065758255359 0.177191223438738 0.905863312798286 0.894524663184081 0.401055535429412 0.0811213281591561 -0.0878199126811263 1.48797454401765 TRUE set1H19 nitrate 200 mM 8/18/2013 MR1_ML3_set1 19 4311313 1951 2780514 2778443 340 1080 734.649127445796 0.284979430103267 0.160852317513069 0.892412558587089 0.894524663184081 0.315371197199661 0.0782610115048465 -0.0122371274562471 2.28584446615589 TRUE set1H20 Chlorite 0.08 mM 8/18/2013 MR1_ML3_set1 20 5130543 2133 3342248 3340138 431.5 1080 883.167107350608 0.210253063625055 0.160517497591051 0.894020570506889 0.894524663184081 0.260889426812527 0.0267166580350331 -0.0660724539103179 1.09737741284244 TRUE set1H21 Chlorite 0.32 mM 8/18/2013 MR1_ML3_set1 21 4340135 1875 2819281 2817463 362 1080 744.966419883659 0.232039030497435 0.16809979455166 0.89004711433197 0.894524663184081 0.261478983818654 0.0390087339525967 -0.06797949512227 0.942584670086555 TRUE set1H22 Chlorite 0.64 mM 8/18/2013 MR1_ML3_set1 22 4327214 2005 2785119 2783552 347 1080 736 0.292219074731902 0.168990866270471 0.888190269493883 0.894524663184081 0.351699646237742 0.088043104450986 -0.0459189557246247 1.224123149788 TRUE set1H23 perchlorate 50 mM 8/18/2013 MR1_ML3_set1 23 5124177 2133 3324445 3322310 417 1080 878.453199365415 0.344626172955726 0.154537848423045 0.876314433609632 0.894524663184081 0.336050799369128 0.0430785969458286 -0.0181261514725985 3.15719920637141 TRUE set1H24 Polymyxin B sulfate 0.0008 mg/ml 8/18/2013 MR1_ML3_set1 24 7359428 10 7223068 7219491 1 1080 1908.90824960338 0.134515480911448 0.601513218175947 0.584962500721156 0.894524663184081 0.118727526378137 0.0969485523396661 0.0123070360532789 18.8057529695595 FALSE set2H25 Time0 8/18/2013 MR1_ML3_set2 25 8235515 3665 5387187 5383815 664 556.5 1423.53648863035 0.00205966888396479 0.144493228645312 0.887657883577781 0.863296734924088 -0.0194409941197192 -0.00799040050636741 -0.0024953642098636 1.52242789469023 FALSE set2H26 Time0 8/18/2013 MR1_ML3_set2 26 6914355 2999 4520212 4517398 556.5 664 1194.44685351666 0.00205966888396479 0.144493228645312 0.863296734924088 0.887657883577781 -0.0194409941197192 -0.00799040050636741 0.00249536420986366 1.18523377274993 FALSE set2H27 Chloride 250 mM 8/18/2013 MR1_ML3_set2 27 5420130 2343 3524851 3522434 451 1224 931.368059227922 0.274769881806859 0.150738212622839 0.895209815489067 0.88124444324324 0.336235968226551 0.0623609165388319 -0.0386916838394469 1.05276962977625 TRUE set2H28 Chloride 350 mM 8/18/2013 MR1_ML3_set2 28 5806430 2579 3738432 3735444 452.5 1224 987.690111052353 0.306512556250267 0.148673700150184 0.885634607908917 0.88124444324324 0.409805961343842 0.0973071247985016 -0.0196582104950894 1.64032203757299 TRUE set2H29 LB 8/18/2013 MR1_ML3_set2 29 8288436 3548 5397953 5394680 701 1224 1426.40930724484 0.193839886644889 0.142601720285029 0.877792978626279 0.88124444324324 0.246414002348452 0.0620667216396448 -0.033910175524599 0.95226885329842 TRUE set2H30 Benzethonium chloride 0.005 mM 8/18/2013 MR1_ML3_set2 30 6043191 2493 3941163 3938742 512 1224 1041.44420941301 0.237140735054976 0.150269268913545 0.881949187370447 0.88124444324324 0.285568164980987 0.0123372689683703 -0.0487243856189764 1.41918944400441 TRUE set2H31 Benzethonium chloride 0.01 mM 8/18/2013 MR1_ML3_set2 31 7438380 3063 4856962 4854036 626 1224 1283.45742993125 0.292716268519123 0.144847853917648 0.896535348025679 0.88124444324324 0.291182075286884 0.0562903978857439 -0.0587827741568278 1.26331569905926 TRUE set2H32 Benzalkonium Chloride 0.002 mg/ml 8/18/2013 MR1_ML3_set2 32 6050346 2524 3941059 3938731 508 1224 1041.441300899 0.231951972477058 0.146651013505231 0.889143400455367 0.88124444324324 0.292495192395041 0.0118759113332469 -0.0543927569366786 0.851555113026321 TRUE set2H33 Aluminum chloride 1 mM 8/18/2013 MR1_ML3_set2 33 7661269 3012 4998360 4994929 651 1224 1320.71099947118 0.246321484693307 0.14823682605331 0.885283296641489 0.88124444324324 0.282223994804138 0.0612724103677551 -0.0505653005398602 1.28562390271257 TRUE set2H34 Aluminum chloride 4 mM 8/18/2013 MR1_ML3_set2 34 7105779 2756 4632008 4629141 608.5 1224 1223.99286092015 0.270941446448072 0.167328171729832 0.89189451622252 0.88124444324324 0.285931868555879 0.0524549634417248 -0.0216519583154312 1.63558186156646 TRUE set2H35 benzoic 0.29 mg/ml 8/18/2013 MR1_ML3_set2 35 6143043 2538 4009336 4007068 516 1224 1059.51031200423 0.264976514694456 0.151288839834173 0.893084796083488 0.88124444324324 0.294123382901201 0.0373544661470116 -0.0399237631895063 0.96660292404209 TRUE set2H36 benzoic 0.4 mg/ml 8/18/2013 MR1_ML3_set2 36 5078884 2153 3316972 3315096 427 1224 876.545742993125 0.285702133638777 0.163436369870112 0.904810160882492 0.88124444324324 0.33452177945559 0.063207412243448 -0.0544702376172996 1.15436160278317 TRUE set2H37 Phosphomycin 0.125 mg/ml 8/18/2013 MR1_ML3_set2 37 2921530 4 2152762 2139410 0 1224 565.682178741407 0.150586371260805 0.61517236569404 0 0.88124444324324 0.108178933640235 0.0598354668103458 0.0358050827457004 16.5594715052791 FALSE set2H38 Phosphomycin 0.25 mg/ml 8/18/2013 MR1_ML3_set2 38 2855414 4 2099473 2075072 0 1224 548.670544685352 0.150710687949665 0.585323122240732 0 0.88124444324324 0.119572847934001 0.0788239768658496 0.0257483428935231 18.9943854451 FALSE set2H39 Bacitracin 0.25 mg/ml 8/18/2013 MR1_ML3_set2 39 3931202 1734 2540941 2539426 306 1224 671.450555261766 0.304380138779027 0.177850926462937 0.90046476981464 0.88124444324324 0.307087522696075 0.0496738978884695 -0.0590211386087554 1.76807682300143 TRUE set2H40 Bacitracin 0.5 mg/ml 8/18/2013 MR1_ML3_set2 40 3987999 1910 2571153 2569724 294.5 1224 679.461660497091 0.366907722476993 0.212717543422171 0.927365578890159 0.88124444324324 0.386664344130906 0.0858342634179849 -0.0459859119028017 3.84552621064413 TRUE set2H41 Fusidic 0.0625 mg/ml 8/18/2013 MR1_ML3_set2 41 5137370 2067 3359050 3357033 430 1224 887.634320465362 0.217004621265369 0.152125667429236 0.89129844052801 0.88124444324324 0.262725805825248 0.0609368308687459 -0.0301564192715529 1.32935997044399 TRUE set2H42 Fusidic 0.125 mg/ml 8/18/2013 MR1_ML3_set2 42 5776814 2285 3802961 3800511 488 1224 1004.89450026441 0.369830798058858 0.172977011715474 0.897910905067322 0.88124444324324 0.382291726140894 0.0603519450900494 -0.024482365106856 2.0527738550112 TRUE set2H43 Dimethyl Sulfoxide 7.5 vol% 8/18/2013 MR1_ML3_set2 43 5979698 2909 3790699 3788136 420 1224 1001.62242199894 0.27354659365087 0.159582971730682 0.878440417788663 0.88124444324324 0.322590262682979 0.00994703732619258 0.00986187970629326 1.19197787290198 TRUE set2H44 LB 8/18/2013 MR1_ML3_set2 44 4069186 1802 2657711 2655846 343.5 1224 702.23320994183 0.204923808033225 0.167745587581448 0.886004540261763 0.88124444324324 0.24957230433044 -0.000561105157756699 -0.0516404123951564 1.42637668691037 TRUE set2H45 L-Lactate (C) 8/18/2013 MR1_ML3_set2 45 5692284 2360 3729803 3726530 471.5 1224 985.333157059757 0.50727684109171 0.166407964249002 0.896857791011826 0.88124444324324 0.427937117663672 0.0227411016961482 -0.103214927266164 4.80684174231436 TRUE set2H46 pyruvate (C) 8/18/2013 MR1_ML3_set2 46 5798498 2243 3782094 3779229 480 1224 999.2673188789 0.479495215182747 0.156095062045398 0.895238505233917 0.88124444324324 0.39404480100187 0.0120478898852602 -0.115303522610729 3.00331494515598 TRUE set2H47 propionate (C) 8/18/2013 MR1_ML3_set2 47 6507900 2753 4206460 4202611 369 1224 1111.21390798519 0.592749581613443 0.195676236005413 0.963626968031066 0.88124444324324 0.475254259240543 0.0108898136863453 -0.0588069547736518 10.8020903467771 TRUE set2H48 Tween 20 (C) 8/18/2013 MR1_ML3_set2 48 5722054 2433 3748413 3745744 459.5 1224 990.413537810682 0.495240575323708 0.151599201116572 0.896134482792552 0.88124444324324 0.447424934178716 0.0316714279666011 -0.115438568826941 3.6015638794332 TRUE set3H2 L-Malic (C) 8/18/2013 MR1_ML3_set3 50 654256 31 48299 48244 5 359 12.7562136435748 0.0256033829351785 0.816431738295228 1 0.894396613003556 0.0911275248768111 0.00805418044947724 -0.000215451015160445 7.31842570058065 FALSE set3H3 L-Glutamic (C) 8/18/2013 MR1_ML3_set3 51 7852900 15 103763 102653 4 359 27.1425171866737 0.149177890319206 0.687688610308951 1 0.894396613003556 0.151754883577922 0.0395417196447002 0.00956621227098726 7.68548503631696 FALSE set3H4 L-Glutamine (C) 8/18/2013 MR1_ML3_set3 52 5358764 1871 3886063 3868531 261 359 1022.87969328398 0.421681728119381 0.201141618210512 0.906890595608519 0.894396613003556 0.37416692712666 0.0364376653504231 -0.0876404568218636 9.87786520333195 TRUE set3H5 L-Isoleucine (C) 8/18/2013 MR1_ML3_set3 53 5916910 1312 4264084 4252841 269 359 1124.49524061343 0.500861093058013 0.406024380246516 1.00182215122491 0.894396613003556 0.414003922982321 0.0221092812119062 -0.0893235922607529 11.2269911172082 TRUE set3H6 Gly-DL-Asp (C) 8/18/2013 MR1_ML3_set3 54 4430049 1588 3117855 3102455 262 359 820.321258593337 0.502025522857395 0.220746243381921 0.918567223075469 0.894396613003556 0.425572586958248 0.0969544857819646 -0.11222408536376 12.4134163915339 TRUE set3H7 Gly-Glu (C) 8/18/2013 MR1_ML3_set3 55 5215797 1734 3721801 3706722 259 359 980.095716552089 0.446510387379332 0.258158631752386 0.934683281618252 0.894396613003556 0.379006438899179 -0.004407212150237 -0.0918358778180971 12.2314739103005 TRUE set3H8 Gelatin (C) 8/18/2013 MR1_ML3_set3 56 5195240 2052 3443845 3441114 421 359 909.866208355368 0.481240796005149 0.184617687185516 0.891765406283144 0.894396613003556 0.376233541638463 0.0605541680730373 -0.00200883984603764 7.45517986720049 TRUE set3H9 casaminos (C) 8/18/2013 MR1_ML3_set3 57 3638321 1564 2367075 2365349 311 359 625.422792173453 0.238715515877455 0.185363812792478 0.879315676677415 0.894396613003556 0.262137146240828 0.0607794012632041 -0.0564116906106491 2.42900423036571 TRUE set3H10 NAG (C) 8/18/2013 MR1_ML3_set3 58 3911679 1555 2553833 2551766 313 359 674.713379164463 0.456692943636038 0.198786945002601 0.882597411392689 0.894396613003556 0.397248258603635 0.0445735871729413 -0.0989695429442531 3.92030293182931 TRUE set3H11 Adenosine (C) 8/18/2013 MR1_ML3_set3 59 4516243 1859 2950085 2947936 378 359 779.46483342147 0.398995300556479 0.176827606253021 0.892124152020291 0.894396613003556 0.394168240912785 0.0933868431916192 -0.128540048378685 2.72279927580494 TRUE set3H12 Uridine (C) 8/18/2013 MR1_ML3_set3 60 4765183 2040 3143420 3140196 393 359 830.300370174511 0.487685105989835 0.217145860071294 0.920008534768996 0.894396613003556 0.423030825230794 0.0719258879437576 -0.138619994816486 4.82148315005461 TRUE set3H13 Inosine (C) 8/18/2013 MR1_ML3_set3 61 3735978 1574 2451998 2450109 297 359 647.834214701216 0.394717236110577 0.18618521283011 0.893547050197637 0.894396613003556 0.385691205906743 0.0796710188978287 -0.177797749462151 3.30642522305727 TRUE set3H14 Cytidine (C) 8/18/2013 MR1_ML3_set3 62 2037038 851 1344592 1343337 168 359 355.192226335272 0.481644075313048 0.235717723330627 0.911093556835037 0.894396613003556 0.405407287696744 0.0164460509023006 -0.130517399874801 5.16566564831087 TRUE set3H15 LB 8/18/2013 MR1_ML3_set3 63 3881324 1621 2507923 2506296 328 359 662.690639873083 0.173266637751914 0.1749633497594 0.864859283509503 0.894396613003556 0.191717875096065 0.0594578191886263 -0.0172860041937355 1.33651259358391 TRUE set3H16 L-Lactate (C) 8/18/2013 MR1_ML3_set3 64 3331833 1346 2177091 2175158 280 359 575.134320465362 0.441023166168081 0.193379874177925 0.893521579336582 0.894396613003556 0.352240978442783 0.032350557989153 -0.114814458187821 3.58345466816056 TRUE set3H17 D,L-Lactate (C) 8/18/2013 MR1_ML3_set3 65 3008019 1079 2018774 2010689 226 359 531.647012162877 0.561310738818366 0.216602934293584 0.897689497444877 0.894396613003556 0.472225550755318 0.0762645231770068 -0.0534700657089833 6.88614257998109 TRUE set3H18 pyruvate (C) 8/18/2013 MR1_ML3_set3 66 3739828 1537 2438470 2436545 310 359 644.247752511899 0.428924055424684 0.199520933767544 0.88182098092174 0.894396613003556 0.369712219694577 0.010659363561041 -0.118920337577814 2.74404997936611 TRUE set3H19 propionate (C) 8/18/2013 MR1_ML3_set3 67 3489867 1457 2276701 2274314 148 359 601.352194606029 0.50401427575097 0.267650192158042 0.986364993977427 0.894396613003556 0.420283757479426 0.0503416213073742 -0.0592510567716639 11.8854485250793 TRUE set3H20 Tween 20 (C) 8/18/2013 MR1_ML3_set3 68 3951670 1681 2579324 2577247 314 359 681.450819672131 0.433790121150251 0.194381093269599 0.8963298066308 0.894396613003556 0.405054981391212 -0.00536646216352948 -0.110865180217816 3.50313046399781 TRUE set3H21 L-Glutamic (C) 8/18/2013 MR1_ML3_set3 69 7196754 42 224735 224298 6 359 59.3067160232681 0.137832820772423 0.61167296219798 1 0.894396613003556 0.248079964754398 0.0217071307754377 -0.00544712938496809 6.74464044397848 FALSE set3H22 L-Glutamine (C) 8/18/2013 MR1_ML3_set3 70 4659909 1730 2893020 2886584 319.5 359 763.242728714966 0.443372379157743 0.186065270224931 0.886309184816349 0.894396613003556 0.359595244473171 0.0856254781673586 -0.114303039750208 7.94840156747425 TRUE set3H23 L-Isoleucine (C) 8/18/2013 MR1_ML3_set3 71 3833466 1087 2740039 2735379 209 359 723.262559492332 0.558288281248334 0.329904147047178 0.947396950224775 0.894396613003556 0.439338446530674 0.00971622287154087 -0.106633877990329 9.87963636468189 TRUE set3H24 Gly-DL-Asp (C) 8/18/2013 MR1_ML3_set3 72 3392853 873 2445330 2424832 173 359 641.150713907985 0.44985235309043 0.249404093587121 0.90222800135736 0.894396613003556 0.414045198760093 0.0503982210881262 -0.0967362252917855 13.0888965998711 TRUE set4H26 Gly-Glu (C) 8/18/2013 MR1_ML3_set4 74 6551278 2560 4647641 4631523 330 597 1224.62268640931 0.453430833617002 0.223476057047234 0.906890595608519 0.877044241169695 0.378950547479452 0.0135505135291511 -0.0949943843585564 10.7064078414284 TRUE set4H27 Gelatin (C) 8/18/2013 MR1_ML3_set4 75 7269425 3081 4802483 4799049 582.5 597 1268.91829719725 0.533257820709823 0.162436609830976 0.893212344049596 0.877044241169695 0.437952384624448 0.0749603483398132 0.00991820537720435 7.11215646909882 TRUE set4H28 casaminos (C) 8/18/2013 MR1_ML3_set4 76 5287534 2205 3441440 3438634 453.5 597 909.210470650449 0.240134924371111 0.157826354521235 0.913130182954414 0.877044241169695 0.332273704439621 0.0212693052118005 -0.0385497541514119 2.19401404146488 TRUE set4H29 NAG (C) 8/18/2013 MR1_ML3_set4 77 6195100 2515 4036862 4034116 501 597 1066.66208355368 0.501624010474982 0.165927173353301 0.905253123556245 0.877044241169695 0.422317952799188 -0.00701621964405162 -0.0973274383543123 4.16773429326616 TRUE set4H30 Adenosine (C) 8/18/2013 MR1_ML3_set4 78 6883230 2802 4494405 4491148 574 597 1187.50608143839 0.457323796233534 0.155799165898227 0.893521579336582 0.877044241169695 0.399950410991649 0.0157353364811303 -0.128336500238973 2.08075954335007 TRUE set4H31 Uridine (C) 8/18/2013 MR1_ML3_set4 79 7942781 3222 5251303 5246672 649.5 597 1387.27445795875 0.550283181732823 0.173849709359828 0.897635989194518 0.877044241169695 0.462324970798385 0.0520517337741593 -0.146759362345635 4.41192927555158 TRUE set4H32 Inosine (C) 8/18/2013 MR1_ML3_set4 80 5246945 2269 3441813 3439210 418 597 909.362771020624 0.442515236781669 0.16000047536151 0.887566347822256 0.877044241169695 0.388498168298005 0.0652942952729565 -0.172427157707327 3.36472901620203 TRUE set4H33 Cytidine (C) 8/18/2013 MR1_ML3_set4 81 5301500 2160 3492820 3488616 440.5 597 922.426229508197 0.542607371748486 0.194426041601668 0.902546001009332 0.877044241169695 0.445637269780179 0.047881776001764 -0.127950289648904 4.54026054795169 TRUE set4H34 LB 8/18/2013 MR1_ML3_set4 82 8192456 3591 5309827 5305977 699.5 597 1402.95531464833 0.204056382610519 0.145198392014298 0.898531703035215 0.877044241169695 0.275279083436663 0.0625966674203695 -0.00678271415173191 1.00168606731899 TRUE set4H35 Time0 8/19/2013 MR1_ML3_set4 83 5859532 2617 3839228 3836931 476 372 1014.52432575357 -0.00227589889866892 0.154643694320185 0.884393951180212 0.877695094478717 -0.0211249190925641 -0.0266321828725096 0.000762662865106253 1.16913623091182 FALSE set4H36 Time0 8/19/2013 MR1_ML3_set4 84 4618427 2089 3023848 3022024 372 476 799.054468535167 -0.00227589889866892 0.154643694320185 0.877695094478717 0.884393951180212 -0.0211249190925641 -0.0266321828725096 -0.000762662865106254 1.59271269613579 FALSE set4H37 Vancomycin 0.03 mg/ml 8/19/2013 MR1_ML3_set4 85 3073086 1455 1978137 1976971 242 846.5 522.73162347964 0.245125298759034 0.167936363328308 0.886084138127575 0.878988668724801 0.300051358313161 0.103191844984771 -0.0473336180374708 1.51578602801127 TRUE set4H38 Vancomycin 0.06 mg/ml 8/19/2013 MR1_ML3_set4 86 2467720 1248 1597175 1594959 166 846.5 421.723691168694 0.276396711956345 0.226666263162985 0.902702798645085 0.878988668724801 0.322041253504433 0.1284817097848 -0.00205203740148941 10.3749314437329 TRUE set4H39 A22 0.003 mg/ml 8/19/2013 MR1_ML3_set4 87 4312317 2007 2780619 2778812 352 846.5 734.746694870439 0.176548274431898 0.166700574237566 0.88625078281475 0.878988668724801 0.210168823930115 0.0218073372914141 -0.0018072300494218 0.917699253215438 TRUE set4H40 A22 0.01 mg/ml 8/19/2013 MR1_ML3_set4 88 4500292 2045 2910612 2908633 364 846.5 769.072712850344 0.20778855135936 0.158020380870666 0.868957211779878 0.878988668724801 0.27770002588662 0.0451796167928671 -0.027420305137358 1.2762513425923 TRUE set4H41 D-Cycloserine 0.03125 mg/ml 8/19/2013 MR1_ML3_set4 89 5647495 2432 3682769 3680439 462.5 846.5 973.146218931782 0.269774808265463 0.166142207051764 0.878864076463954 0.878988668724801 0.339863301884855 0.080264437550067 -0.0654086250261603 1.43551851433865 TRUE set4H42 Doxycycline hyclate 0.0001 mg/ml 8/19/2013 MR1_ML3_set4 90 4735152 2038 3090380 3088529 399.5 846.5 816.63907985193 0.207017290026249 0.15050399340554 0.878317708762868 0.878988668724801 0.241413956307167 -0.0112613962881979 -0.0511776877926536 0.974029674665724 TRUE set4H43 LB 8/19/2013 MR1_ML3_set4 91 5278896 2115 3447721 3445341 442 846.5 910.983870967742 0.201368497835747 0.151371125485674 0.885643829212053 0.878988668724801 0.245417340620383 0.0581094164001967 -0.0538038377782826 1.12867249867222 TRUE set4H44 Chloramphenicol 0.0002 mg/ml 8/19/2013 MR1_ML3_set4 92 4936036 2362 3196586 3194172 407 846.5 844.572184029614 0.171147944508638 0.170800440627497 0.899968725247561 0.878988668724801 0.230805923923975 0.0706532367145408 -0.0499905525560047 1.11849740938006 TRUE set4H45 Chloramphenicol 0.0004 mg/ml 8/19/2013 MR1_ML3_set4 93 7351128 3648 4724400 4721206 581 846.5 1248.33580116341 0.210230953889062 0.149614107887378 0.889272348958803 0.878988668724801 0.270464887831859 0.023128949713203 -0.0405729020015798 1.12798804401039 TRUE set4H46 Tetracycline 0.0004 mg/ml 8/19/2013 MR1_ML3_set4 94 4203434 1660 2751246 2749506 367 846.5 726.997884717081 0.237065844850396 0.155698058233591 0.873888556500139 0.878988668724801 0.25285781910653 0.0281864955195247 -0.0381241512365437 1.38133532549904 TRUE set4H47 Spectinomycin 0.025 mg/ml 8/19/2013 MR1_ML3_set4 95 5962244 2844 3885748 3883311 514.5 846.5 1026.787678477 0.296500280094903 0.150910991238735 0.888395048532472 0.878988668724801 0.340841769249778 0.132694032207224 -0.0330641688589713 1.69907188063721 TRUE set4H48 LB 8/19/2013 MR1_ML3_set4 96 6912230 2877 4511626 4508823 581.5 846.5 1192.17953463776 0.192797761435657 0.149731329550827 0.877500592618381 0.878988668724801 0.213040346130275 0.0685446513483319 -0.0668641015639066 0.947329280985908 TRUE set5H1 Time0 8/19/2013 MR1_ML3_set5 97 2471988 1091 1620446 1619327 197 254 428.166842940243 0.00231158820354787 0.216024404050361 0.896996963807028 0.883854558798657 0.0213101028912483 -0.0362321787615183 -0.013875097045188 1.24609191013496 FALSE set5H2 Time0 8/19/2013 MR1_ML3_set5 98 3119289 1363 2046619 2045260 254 197 540.787942887361 0.00231158820354787 0.216024404050361 0.883854558798657 0.896996963807028 0.0213101028912483 -0.0362321787615183 0.013875097045188 1.58784483550528 FALSE set5H3 methylglyoxal 0.004 vol% 8/19/2013 MR1_ML3_set5 99 3001057 1301 1957642 1956199 240.5 451.5 517.239291380222 0.245638023832227 0.203647045363106 0.896514985249427 0.871442119037246 0.282373335643194 -0.0206148864414836 -0.0568154844227646 3.48031497333378 TRUE set5H4 methylglyoxal 0.008 vol% 8/19/2013 MR1_ML3_set5 100 3252969 1368 2119155 2117823 261 451.5 559.974352194606 0.264119186249417 0.217621595600052 0.903237299959947 0.871442119037246 0.34515196625486 -0.0136252095638146 -0.0419202511129787 3.01982057708017 TRUE set5H5 2-Furfuraldehyde 0.0625 vol% 8/19/2013 MR1_ML3_set5 101 3274523 1386 2136162 2134833 266 451.5 564.471972501322 0.218658351149756 0.191949002953212 0.878185594281553 0.871442119037246 0.234140819276492 0.0622737341072056 -0.0386018721275967 1.28113331660299 TRUE set5H6 5-Hydroxymethylfurfural 10 mM 8/19/2013 MR1_ML3_set5 102 3170012 1488 2038131 2036814 237 451.5 538.554732945531 0.21150296985861 0.186977602903141 0.877987643330671 0.871442119037246 0.260972035352933 0.0572945005473122 -0.00528066485292732 1.10981540436858 TRUE set5H7 5-Hydroxymethylfurfural 15 mM 8/19/2013 MR1_ML3_set5 103 3337823 1719 2107311 2105808 221 451.5 556.797461660497 0.27761780267434 0.201273635457926 0.889817082249578 0.871442119037246 0.295576212763364 0.0549398206360728 -0.00102361351829213 1.26563274073611 TRUE set5H8 Vanillin 1 mM 8/19/2013 MR1_ML3_set5 104 3504292 1389 2300219 2298698 294 451.5 607.799576943416 0.185151733795816 0.196185049094866 0.895143589918319 0.871442119037246 0.200457616123993 0.0350662084510855 -0.0540005487137839 1.39472338772231 TRUE set5H9 Vanillin 2.5 mM 8/19/2013 MR1_ML3_set5 105 2585265 1114 1686895 1685645 213.5 451.5 445.702009518773 0.234434004412764 0.204099267749955 0.89392823087171 0.871442119037246 0.205430755160599 -0.0034500977003102 -0.00751602825296642 2.11207230750645 TRUE set5H10 syringaldehyde 1 mM 8/19/2013 MR1_ML3_set5 106 3524080 1455 2312850 2311294 298.5 451.5 611.130089899524 0.190913705535512 0.18421514170424 0.909635952633216 0.871442119037246 0.208908006333728 0.0311808933842319 -0.0447943687971188 1.89796046969621 TRUE set5H11 syringaldehyde 2.5 mM 8/19/2013 MR1_ML3_set5 107 3439153 1448 2255086 2253539 289.5 451.5 595.859069275516 0.207885502776066 0.183436998800515 0.909802191028422 0.871442119037246 0.18984746149762 -0.00806382190862423 -0.0453945826410392 2.95419390606025 TRUE set5H12 LB 8/19/2013 MR1_ML3_set5 108 3589840 1370 2360240 2358531 306 451.5 623.620042305658 0.201995992800525 0.181940626626783 0.887525270741587 0.871442119037246 0.229317603177075 -0.00990840472236173 -0.0378137151622054 1.25301685863917 TRUE set5H13 Time0 8/21/2013 MR1_ML3_set5 109 3141769 1476 2060043 2058743 251 532 544.352987837123 -0.00765169873002513 0.173492540894958 0.888051994036582 0.874840902914747 0.0379419735455444 0.0229620948582833 -0.0220418703635796 1.15337184637819 FALSE set5H14 Time0 8/21/2013 MR1_ML3_set5 110 2308369 1053 1514078 1513164 187 597 400.096245372819 -0.00231758236011192 0.197836970908493 0.878351589699627 0.876719802336065 -0.0403556949647729 -0.039461630803101 0.0179239957547875 1.14332700714422 FALSE set5H15 L-Alanine (N) 8/21/2013 MR1_ML3_set5 111 2542212 1118 1732356 1729923 180.5 783.5 457.409571655209 0.48939608090345 0.307261506929854 0.952432880065515 0.874469117916141 0.342475479360472 0.0630617485360969 -0.122590698877938 8.69881465931955 TRUE set5H16 L-Isoleucine (N) 8/21/2013 MR1_ML3_set5 112 3361653 1400 2207798 2206202 282 783.5 583.342675832893 0.383673171059415 0.166352084159484 0.895293959848046 0.874469117916141 0.306237408874774 0.0389515642463442 -0.145042514164219 1.86941734649278 TRUE set5H17 L-Leucine (N) 8/21/2013 MR1_ML3_set5 113 3337462 201 2213423 2207281 41 783.5 583.627974616605 0.305010640034535 0.343374493127224 0.959358015502654 0.874469117916141 0.235473268511776 0.0316894963185106 -0.0316498102538837 15.5435510863476 FALSE set5H18 L-Methionine (N) 8/21/2013 MR1_ML3_set5 114 3290723 1831 2188171 2183819 174 783.5 577.424378635642 0.426763516365671 0.386802707244629 1 0.874469117916141 0.319923601040305 0.0103889002470846 -0.113066566550433 13.0649885750722 TRUE set5H19 L-Phenylalanine (N) 8/21/2013 MR1_ML3_set5 115 4002195 1632 2666270 2663687 295.5 783.5 704.306451612903 0.505019956981913 0.234669408565233 0.90648636611044 0.874469117916141 0.400014880930333 0.0808071588959783 -0.105166890207897 5.17503499693205 TRUE set5H20 Putrescine (N) 8/21/2013 MR1_ML3_set5 116 3724177 1442 2456641 2454658 311 783.5 649.037017451084 0.480235211821941 0.175192729181914 0.90447101558177 0.874469117916141 0.404561023873755 0.0314452685529745 -0.136064473781862 3.86340678693651 TRUE set5H21 NAG (N) 8/21/2013 MR1_ML3_set5 117 3801761 1494 2486747 2482916 310.5 783.5 656.508725542041 0.374078976180547 0.333418880406141 0.95820613475595 0.874469117916141 0.330182231216509 0.0224210616015051 -0.105292682097835 7.78129888612569 TRUE set5H22 Adenosine (N) 8/21/2013 MR1_ML3_set5 118 3645077 1192 2501087 2487827 175 783.5 657.807244843998 0.190056242828945 1.18764537929994 2 0.874469117916141 0.12925399403132 0.0383490975112286 -0.103813463627472 10.9380173042159 FALSE set5H23 Ammonium chloride (N) 8/21/2013 MR1_ML3_set5 119 3385485 1404 2220792 2218870 281 783.5 586.692226335272 0.45544507102682 0.175418722866408 0.909039946211664 0.874469117916141 0.350777299465741 0.0578941686772097 -0.124901204413849 3.18084300231339 TRUE set5H24 L-Proline (N) 8/21/2013 MR1_ML3_set5 120 5365157 239 397071 396735 47 783.5 104.900846113168 0.376893493655534 0.342456770866597 0.917537839808027 0.874469117916141 0.295538984636559 0.0240292175873519 -0.0819052012708878 7.05520430009607 FALSE set5H25 L-Alanine (N) 8/21/2013 MR1_ML3_set5 121 3324898 1477 2227217 2224263 249 783.5 588.118191433104 0.545778883693874 0.257853603539507 0.938835228346762 0.874469117916141 0.372290922245809 0.0544024145527474 -0.123850209901744 8.29759639984418 TRUE set5H26 L-Isoleucine (N) 8/21/2013 MR1_ML3_set5 122 3489058 1435 2290250 2288582 297.5 783.5 605.124801692226 0.391519831756588 0.172999591546634 0.890610734033153 0.874469117916141 0.300520054792483 0.0536016201814454 -0.132372231315634 2.14043613130197 TRUE set5H27 L-Leucine (N) 8/21/2013 MR1_ML3_set5 123 3578165 280 2365170 2355476 60 783.5 622.812268640931 0.325873487029691 0.288684330074936 0.910732661902913 0.874469117916141 0.266945031554748 0.0462203132528978 -0.0606942156814193 15.0717599758728 TRUE set5H28 L-Methionine (N) 8/21/2013 MR1_ML3_set5 124 2597855 1515 1729719 1725663 147 783.5 456.283183500793 0.413028561343529 0.398740272688029 1.01347165494424 0.874469117916141 0.348398010816049 -0.0253888442966421 -0.111876806158714 11.1721405469843 TRUE set5H29 L-Phenylalanine (N) 8/21/2013 MR1_ML3_set5 125 3313693 1294 2208768 2206489 242 783.5 583.418561607615 0.479584093074314 0.24377320600222 0.925999418556223 0.874469117916141 0.374803825155378 0.0587058533163964 -0.111160322122779 4.74985666391018 TRUE set5H30 Putrescine (N) 8/21/2013 MR1_ML3_set5 126 3416687 1444 2246484 2244585 283 783.5 593.491538868324 0.447494392305518 0.186976805661751 0.906890595608519 0.874469117916141 0.35008051344724 0.0529030635794402 -0.136973422506009 4.09277607292306 TRUE set5H31 NAG (N) 8/21/2013 MR1_ML3_set5 127 2551002 1318 1666956 1663321 209 783.5 439.799312533051 0.361576667853659 0.366143912132664 1 0.874469117916141 0.289652645151175 0.0222616982909567 -0.103766060148668 7.94767981885286 TRUE set5H32 Adenosine (N) 8/21/2013 MR1_ML3_set5 128 3707083 2756 2546811 2531247 176.5 783.5 669.287942887361 0.16745111463437 1.3180702163958 2.14504788215951 0.874469117916141 0.171866712021354 -0.00789715276879207 -0.0953655107906309 10.6284938741584 FALSE set5H33 Ammonium chloride (N) 8/21/2013 MR1_ML3_set5 129 3594895 1442 2360765 2358321 299 783.5 623.564516129032 0.456958239307167 0.186845504006316 0.911741968579703 0.874469117916141 0.367658398972925 0.0320054419250403 -0.126003011845923 3.47993705804009 TRUE set5H34 Nickel (II) chloride 0.2 mM 8/21/2013 MR1_ML3_set5 130 3761677 1523 2471354 2469735 323 783.5 653.023532522475 0.205856919449036 0.17607973782205 0.893356746141543 0.874469117916141 0.217110033648868 0.00968697721513172 -0.0576489361489204 1.19470091591441 TRUE set5H35 Nickel (II) chloride 0.25 mM 8/21/2013 MR1_ML3_set5 131 3274657 1278 2153536 2152208 280.5 783.5 569.066102591222 0.226455013656632 0.17505614164598 0.894247947403144 0.874469117916141 0.252919042584224 0.0212998326331966 -0.057698595691006 0.970271230723284 TRUE set5H36 Cobalt chloride 0.055 mM 8/21/2013 MR1_ML3_set5 132 3777535 538 2052821 2051804 78 783.5 542.518244315177 0.255585285666967 0.462900254991988 1.17508670655809 0.874469117916141 0.290964849701686 0.0490692412959196 0.0209479848866207 10.8629590928737 TRUE set5H37 Cisplatin 0.002 mg/ml 8/21/2013 MR1_ML3_set5 133 1858705 841 1204855 1203985 140 783.5 318.346113167636 0.269932549142761 0.234485257422941 0.920146692310785 0.874469117916141 0.364253642405801 0.0297594286355351 -0.0207562957268306 3.02886201219594 TRUE set5H38 Cisplatin 0.004 mg/ml 8/21/2013 MR1_ML3_set5 134 2192922 771 1441887 1440863 140 783.5 380.979111581174 0.253626515050815 0.34973934812321 1.0186996238486 0.874469117916141 0.311831991058712 0.0261521028578142 -0.0192993590242253 5.42191351293377 TRUE set5H39 Cisplatin 0.006 mg/ml 8/21/2013 MR1_ML3_set5 135 2946265 907 1948453 1946954 183.5 783.5 514.794817556848 0.242846489887687 0.645432535885043 1.22959509045495 0.874469117916141 0.394224168145372 0.133390906529755 -0.0506862437163265 5.50882671490383 FALSE set5H40 Benzalkonium Chloride 0.002 mg/ml 8/21/2013 MR1_ML3_set5 136 2547369 1050 1671903 1670890 212 783.5 441.800634584876 0.214016231098647 0.184107516311381 0.885243769667017 0.874469117916141 0.303952157559113 0.0590624442919511 -0.0586410860706542 1.15532829312929 TRUE set5H41 Benzalkonium Chloride 0.004 mg/ml 8/21/2013 MR1_ML3_set5 137 3065815 1195 2015022 2013548 249 783.5 532.402961396087 0.375023873058673 0.233181126146729 0.897168386697675 0.874469117916141 0.337716418733171 0.050182211934317 -0.029127721197039 2.14530145685041 TRUE set5H42 Carbenicillin 0.008 mg/ml 8/21/2013 MR1_ML3_set5 138 2881492 1268 1895889 1893069 186 783.5 500.54706504495 0.34304764010729 0.39620094146844 1.00728791565447 0.874469117916141 0.353733204410673 0.00286761790499031 -0.0248195192703726 6.20646083814734 TRUE set5H43 Gentamicin 0.005 mg/ml 8/21/2013 MR1_ML3_set5 139 3664188 1576 2373511 2371346 287 783.5 627.008461131676 0.330013157605097 0.185136599493919 0.892704639278671 0.874469117916141 0.283325727158722 0.0631495018603056 0.009679905644508 1.20305474371007 TRUE set5H44 LB 8/21/2013 MR1_ML3_set5 140 2479074 1052 1627924 1626691 211 783.5 430.113960867266 0.133617772582246 0.196948260658485 0.917537839808027 0.874469117916141 0.191208230307337 0.0860608480821703 -0.0489888938184369 1.41245702094704 TRUE set5H45 Lomefloxacin 0.0002 mM 8/21/2013 MR1_ML3_set5 141 3673014 1538 2387210 2385293 247 783.5 630.696192490746 0.276614874534399 0.212358121448844 0.893084796083488 0.874469117916141 0.32724819631037 0.0773022976674483 0.0069871423506265 4.92559454182575 TRUE set5H46 Neomycin 0.16 mg/ml 8/21/2013 MR1_ML3_set5 142 2824486 3620 1868905 1865844 26 783.5 493.34849286092 0.523844540320918 0.897510634309492 1.30666133823405 0.874469117916141 0.50056450734597 0.172969759592181 0.14956945468542 10.1929879553478 FALSE set5H47 LB 8/21/2013 MR1_ML3_set5 143 4286905 1746 2818009 2816106 365 783.5 744.607615018509 0.172666263615749 0.170934261716664 0.891945559793654 0.874469117916141 0.24246584974807 0.0567300807230428 -0.0543966240722702 1.30376474167148 TRUE set5H48 Time0 8/21/2013 MR1_ML3_set5 144 4205031 1850 2761652 2759831 347 436 729.727921734532 0.0145192576006632 0.168083747433815 0.878664972694012 0.879827662599528 0.104085312918985 0.0531668946084799 0.0166363575013554 1.4522777225339 FALSE set6H1 Time0 10/22/2013 MR1_ML3_set6 145 2301828 1071 1501730 1500855 180 1258 396.841618191433 0.0498501180738014 0.176524708660708 0.893084796083488 0.880563368997087 0.0132039062882754 -0.0100165862878039 -0.00474006675766549 1.25790134347264 FALSE set6H2 Time0 10/22/2013 MR1_ML3_set6 146 2870645 1239 1871230 1869903 226 1206 494.421734531994 -0.00835728136685444 0.152591941319175 0.862496476250065 0.885007097125467 0.0326757927575337 0.0873731952343358 0.00975164910415544 1.24016080592378 FALSE set6H3 Time0 10/22/2013 MR1_ML3_set6 147 2987811 1359 1948402 1947117 234 1200 514.837916446325 -0.0249517708786312 0.15505414979738 0.886343218204433 0.876272372242219 -0.0232491290921209 0.0302052946444715 0.00248772758333509 1.02926345366151 FALSE set6H4 Choline chloride 150 mM 10/22/2013 MR1_ML3_set6 148 2822060 956 1902842 1901581 132 1441 502.797726070862 0.241510938663367 0.208692178784082 0.895717985654814 0.882700813733972 0.213692087609526 0.0297654252566367 0.0315615205120499 9.44061506887943 TRUE set6H5 Cholin acetate 20 mM 10/22/2013 MR1_ML3_set6 149 3011428 1165 1958120 1956785 245 1441 517.394235854046 0.256395333623123 0.165347289851165 0.895660911578981 0.882700813733972 0.28809373840987 0.0372739867677453 -0.0573929689356575 1.2540316056595 TRUE set6H6 acetate 50 mM 10/22/2013 MR1_ML3_set6 150 2855046 1094 1854778 1853536 225 1441 490.0941300899 0.395092678041927 0.175449262610476 0.891843169013055 0.882700813733972 0.370154415135769 0.0377637627903595 -0.0417166564018462 1.67804503954519 TRUE set6H7 LB 10/22/2013 MR1_ML3_set6 151 3252273 1236 2121709 2120330 273 1441 560.637228979376 0.215539593404396 0.15298145733605 0.886411386774704 0.882700813733972 0.275227582534068 0.0463038458023502 -0.0414305238782709 1.01291831053654 TRUE set6H8 Choline chloride 150 mM 10/22/2013 MR1_ML3_set6 152 3302627 1312 2199265 2197887 181 1441 581.144103648863 0.29226774635993 0.180189875911651 0.895913764600362 0.882700813733972 0.251405490282739 0.0297784702342097 0.0286576263414526 8.67675475809375 TRUE set6H9 Cholin acetate 20 mM 10/22/2013 MR1_ML3_set6 153 2382385 955 1549901 1548835 194 1441 409.528027498678 0.264000601579206 0.171783772948332 0.900234268236181 0.882700813733972 0.270199390356998 0.0534460016373316 -0.0604075758388709 1.20865849586272 TRUE set6H10 acetate 50 mM 10/22/2013 MR1_ML3_set6 154 3128679 1274 2030829 2029252 247 1441 536.555261766261 0.382305471131171 0.176643453593669 0.886915904540518 0.882700813733972 0.319673920936712 0.0132383921521355 -0.0474913499925754 1.9541807747913 TRUE set6H11 LB 10/22/2013 MR1_ML3_set6 155 2930982 1167 1908067 1906705 245 1441 504.152564780539 0.186890747843113 0.166390602087394 0.903562569331427 0.882700813733972 0.227015921299888 0.060627335764763 -0.0502326089606554 1.0476384069009 TRUE set6H12 1-ethyl-3-methylimidazolium acetate 20 mM 10/22/2013 MR1_ML3_set6 156 3010928 1154 1956882 1955451 228 1441 517.041512427287 0.456951088421448 0.206801128745014 0.921007406789697 0.882700813733972 0.347671053415491 0.019887312319053 -0.0329036798317377 4.30181787476312 TRUE set6H13 1-ethyl-3-methylimidazolium chloride 80 mM 10/22/2013 MR1_ML3_set6 157 3221814 1421 2067036 2065523 238 1441 546.145690111052 0.38278063106935 0.16663853131702 0.894385885910417 0.882700813733972 0.36101881813294 0.0518940001502577 0.00348627719700467 3.69500472018659 TRUE set6H14 1-ethyl-3-methylimidazolium chloride 40 mM 10/22/2013 MR1_ML3_set6 158 2352222 1009 1519661 1518528 187 1441 401.514542570069 0.203692607932965 0.185578054891455 0.905866681284089 0.882700813733972 0.22482796674203 0.0199822142944574 -0.0125628119825223 1.27511956401321 TRUE set6H15 Choline Lysine 20 mM 10/22/2013 MR1_ML3_set6 159 2572938 1262 1616929 1615176 164 1441 427.0692755156 0.363718309602636 0.20182386361032 0.883073456913515 0.882700813733972 0.363277748543074 0.0706404921136799 0.0159697266908142 2.83976464408001 TRUE set6H16 L-Lysine 100 mM 10/22/2013 MR1_ML3_set6 160 3276095 968 2257286 2255407 152 1441 596.352987837123 0.268630009106744 0.199067316163866 0.901631000089343 0.882700813733972 0.294998266650825 0.0704848094275307 0.006554724382708 9.53424099704616 TRUE set6H17 L-Lysine 50 mM 10/22/2013 MR1_ML3_set6 161 3021577 1239 1947684 1946418 236 1441 514.653093601269 0.318210794177714 0.172103756147313 0.889292897618917 0.882700813733972 0.316016753675878 0.0670363454238956 0.00298318598571671 2.43120326923142 TRUE set6H18 LB 10/22/2013 MR1_ML3_set6 162 3186650 1188 2077239 2075895 262 1441 548.888154415653 0.19352812444539 0.155913853187897 0.898120385980786 0.882700813733972 0.278507585398506 0.0458632366823775 -0.0525721769677356 1.09163909360579 TRUE set6H19 1-ethyl-3-methylimidazolium acetate 20 mM 10/22/2013 MR1_ML3_set6 163 3288030 1317 2137226 2135634 252 1441 564.683765203596 0.459409203198312 0.204500155780431 0.918484567643052 0.882700813733972 0.365912583413317 0.0182654025557387 -0.0390784635122091 3.82662025103002 TRUE set6H20 1-ethyl-3-methylimidazolium chloride 80 mM 10/22/2013 MR1_ML3_set6 164 3361776 1470 2160810 2159318 249.5 1441 570.946060285563 0.36160084477937 0.177303149505463 0.873158238231477 0.882700813733972 0.332419172018855 0.0724696979648899 -0.00530046311096374 3.52205483646721 TRUE set6H21 1-ethyl-3-methylimidazolium chloride 40 mM 10/22/2013 MR1_ML3_set6 165 3765184 1587 2439931 2438110 303 1441 644.661554732946 0.235338859614434 0.150847882630388 0.881022652333482 0.882700813733972 0.259662493800591 0.0718020306361875 -0.0440154240544342 1.01734611165209 TRUE set6H22 Choline Lysine 20 mM 10/22/2013 MR1_ML3_set6 166 3279291 1538 2060410 2057829 211.5 1441 544.111316763617 0.338709165635548 0.18257232320449 0.908763088793753 0.882700813733972 0.375235031768194 0.0448380959539682 0.012079637574237 1.79221611283849 TRUE set6H23 L-Lysine 100 mM 10/22/2013 MR1_ML3_set6 167 3384287 854 2370420 2368178 137 1441 626.170809095717 0.317631592865577 0.196715130701487 0.911169674889041 0.882700813733972 0.336184342801678 0.0382847522203993 0.00722174306230887 10.0855539589245 TRUE set6H24 L-Lysine 50 mM 10/22/2013 MR1_ML3_set6 168 3121349 1311 2004707 2003366 231 1441 529.710735060814 0.33775670851998 0.164452422630784 0.904632553488714 0.882700813733972 0.411850508074989 0.0554214053485008 -0.00805961505731094 3.89355681214306 TRUE set6H25 LB 10/22/2013 MR1_ML3_set6 169 3231301 1315 2101046 2099711 272 1441 555.185351665785 0.27670137106431 0.173604705044084 0.893084796083488 0.882700813733972 0.317614325709364 0.0244302298079013 -0.0468995157365701 0.809525619677632 TRUE set6H26 L-Arginine (N) 10/22/2013 MR1_ML3_set6 170 3201688 1249 2091492 2089204 255 1441 552.407191961925 0.442847766466724 0.159339873960978 0.877863756538482 0.882700813733972 0.418404124992579 0.0544771839117729 -0.129003089294426 2.93132472430469 TRUE set6H27 L-Histidine (N) 10/22/2013 MR1_ML3_set6 171 2529554 430 1648056 1647527 75 1441 435.623215230037 0.309140042309273 0.241598201620691 0.912596119847681 0.882700813733972 0.290451545471481 0.0552789025454413 -0.0637626688305602 8.7840806258583 TRUE set6H28 L-Aspartic Acid (N) 10/22/2013 MR1_ML3_set6 172 2990327 1045 1827442 1825414 224 1441 482.658381808567 0.454680577861105 0.176846309329748 0.89464221877586 0.882700813733972 0.432170500309459 0.0702004920558207 -0.0768892827141937 5.67132015544439 TRUE set6H29 L-Glutamic (N) 10/22/2013 MR1_ML3_set6 173 3001128 1486 1980647 1977503 239 1441 522.87228979376 0.454070727341998 0.218028986114166 0.897207778990381 0.882700813733972 0.401174990759064 -0.00283494108736361 -0.0796453370815561 7.08419005934699 TRUE set6H30 L-Serine (N) 10/22/2013 MR1_ML3_set6 174 2597613 1277 1784001 1776562 169 1441 469.741406663141 0.439658806725023 0.336668560011495 1 0.882700813733972 0.367607840811342 0.0569966224061891 -0.115830697719423 9.48612819578672 TRUE set6H31 L-Threonine (N) 10/22/2013 MR1_ML3_set6 175 3442511 1297 2269233 2264084 285 1441 598.647276573242 0.511917299291571 0.256286306412791 0.930801651886004 0.882700813733972 0.430733878682492 0.0661266371860866 -0.105703500263321 6.37537003659776 TRUE set6H32 L-Asparagine (N) 10/22/2013 MR1_ML3_set6 176 3131848 1242 2060700 2058196 266 1441 544.20835536753 0.447948045225215 0.192949360138178 0.917537839808027 0.882700813733972 0.40148307737116 0.0601259308485917 -0.0930747916441066 6.21146528864291 TRUE set6H33 L-Glutamine (N) 10/22/2013 MR1_ML3_set6 177 3404007 1362 2224409 2221671 277 1441 587.432839767319 0.445953475669853 0.197875805704993 0.896996963807028 0.882700813733972 0.381682430761201 0.0441696693866049 -0.0909328471220019 5.69988948790388 TRUE set6H34 Glycine (N) 10/22/2013 MR1_ML3_set6 178 3300860 1344 2157665 2155405 265.5 1441 569.911422527763 0.460969803376601 0.184403977287267 0.897513446508342 0.882700813733972 0.432822041671415 0.0307442103194704 -0.119913894853758 3.74207018213552 TRUE set6H35 Ammonium chloride (N) 10/22/2013 MR1_ML3_set6 179 2873192 1142 1877881 1876266 241 1441 496.104177683765 0.439363349639487 0.159706236379377 0.883746348104377 0.882700813733972 0.345393667068662 0.099405689672736 -0.142021702186293 2.53268463719551 TRUE set6H36 L-Arginine (N) 10/22/2013 MR1_ML3_set6 180 3171401 1291 2077126 2074895 260 1441 548.623744050767 0.461431310595673 0.163277978961239 0.875968248287776 0.882700813733972 0.393771617517974 0.0671189704029364 -0.133884140022744 3.45921018759687 TRUE set6H37 L-Histidine (N) 10/22/2013 MR1_ML3_set6 181 3513825 324 2524289 2523873 68 1441 667.33818085669 0.308440525155866 0.266899884792885 0.906890595608519 0.882700813733972 0.332078236259274 0.0619999708363932 -0.08273678992458 8.58131717382113 TRUE set6H38 L-Aspartic Acid (N) 10/22/2013 MR1_ML3_set6 182 2145188 790 1290213 1288912 161 1441 340.801692226335 0.425826207817753 0.197915421317286 0.900150082261827 0.882700813733972 0.368396636746241 -0.0212141451631998 -0.0732012129364677 5.74535640751267 TRUE set6H39 L-Glutamic (N) 10/22/2013 MR1_ML3_set6 183 3025042 1370 1995101 1991804 238 1441 526.653622421999 0.453075610815022 0.212946306848869 0.904369495981231 0.882700813733972 0.407802241959914 0.00226117781020943 -0.082067756186207 7.51731895834371 TRUE set6H40 L-Serine (N) 10/22/2013 MR1_ML3_set6 184 2442395 1495 1635549 1629753 180 1441 430.923585404548 0.451454554276072 0.280841905378402 0.968946152829778 0.882700813733972 0.328054722937249 0.0738459470951927 -0.114770816269201 9.07725490037461 TRUE set6H41 L-Threonine (N) 10/22/2013 MR1_ML3_set6 185 2828697 1220 1866721 1863034 230 1441 492.60549973559 0.501836574201391 0.26251589857098 0.930002602311367 0.882700813733972 0.442605905014659 0.0575957750999972 -0.0946295353158845 6.60324695159791 TRUE set6H42 L-Asparagine (N) 10/22/2013 MR1_ML3_set6 186 2599030 1059 1708794 1706918 218 1441 451.326811210999 0.451758163371328 0.198424388571092 0.901219715821744 0.882700813733972 0.386722821512145 0.0448465479851149 -0.0955884449195858 6.28975599367083 TRUE set6H43 L-Glutamine (N) 10/22/2013 MR1_ML3_set6 187 3074661 1282 2004995 2002819 246.5 1441 529.566102591222 0.448171577899539 0.200183570915175 0.907005909735604 0.882700813733972 0.387078710311025 -0.0225211538994045 -0.0910312805404039 5.57127964329013 TRUE set6H44 Glycine (N) 10/22/2013 MR1_ML3_set6 188 2725282 1121 1799263 1796905 214 1441 475.120306716023 0.509665118348499 0.180538681913451 0.904537231715144 0.882700813733972 0.39989354591645 0.0390801340892619 -0.139945718524902 4.57041705546407 TRUE set6H45 Ammonium chloride (N) 10/22/2013 MR1_ML3_set6 189 3473384 1405 2270585 2268715 296 1441 599.87176097303 0.436574195918336 0.150991860811465 0.901705848298912 0.882700813733972 0.385364554884104 0.0694697217202033 -0.132148609270811 2.68653148355224 TRUE set6H46 Time0 10/22/2013 MR1_ML3_set6 190 3099745 1352 2019032 2017557 243 1190 533.462982548916 -0.0171473029610882 0.155097644592743 0.871298803173577 0.87804982661515 0.0240081292123068 -0.0205457253025165 -0.00385866133884785 0.965176087004725 FALSE set6H47 Time0 10/22/2013 MR1_ML3_set6 191 3753998 1775 2441641 2439850 291 1149 645.121628767848 0.0361002140520957 0.156228495023964 0.882661589014818 0.880387568623919 0.00137986810976725 0.069501623413345 0.0101454729559147 1.1350488530612 FALSE set6H48 Time0 10/22/2013 MR1_ML3_set6 192 3422118 1540 2225753 2224142 265.5 1172.5 588.086197778953 0.0106440266268265 0.144225273655037 0.867992394243537 0.888503139484619 0.0176001682309213 -0.0479919847241887 -0.0110063393658161 1.01531787575334 FALSE setAH1 Time0 8/28/2013 MR1_SB2B_combined_set 193 2495421 1101 1623223 1622107 194 412.5 428.901903754627 0.0100695875856727 0.182262571052764 0.876380710751245 0.891707243779952 -0.0107220689130916 0.0325516798193423 -3.70628430003295e-05 1.21281446009317 FALSE setAH2 Time0 8/28/2013 MR1_SB2B_combined_set 194 2902677 1202 1888839 1887534 228 378 499.083553675304 -0.00312317524149713 0.175612429253848 0.876970654178236 0.884566373915527 -0.0352057090667412 0.0627434664991707 -0.0164670071640824 1.62225854969078 FALSE setAH3 ShewMM_MES_buffer 8/28/2013 MR1_SB2B_combined_set 195 2889801 1157 1871110 1869482 234 610.5 494.310417768377 0.32617144364166 0.196340248337479 0.88151776815631 0.875703267709564 0.310371077595588 0.0360581362040321 -0.10792293352011 1.47992632902079 TRUE setAH4 ShewMM 8/28/2013 MR1_SB2B_combined_set 196 2684240 1072 1745924 1744362 219 610.5 461.227392913802 0.362316987742074 0.1835236345265 0.893687677456187 0.875703267709564 0.277889276891539 0.0377227676570012 -0.0864740080087505 1.40016949847458 TRUE setAH5 RCH2_defined 8/28/2013 MR1_SB2B_combined_set 197 2852747 1160 1845178 1843722 223 610.5 487.499206768905 0.397779241727047 0.215828112501363 0.897066853308231 0.875703267709564 0.297049529492419 -0.0100884047812275 -0.111329783526338 2.89604750759701 TRUE setAH6 RCH2_defined_TAPS_Bfr_pH9 8/28/2013 MR1_SB2B_combined_set 198 2680583 952 1709912 1708071 164 610.5 451.631676361713 0.276559659116256 0.745313066486518 1.34833301738414 0.875703267709564 0.266639668361133 0.0821136314075956 -0.086103888804176 4.8907116493105 FALSE setAH7 ShewMM_MES_buffer 8/28/2013 MR1_SB2B_combined_set 199 3005280 1227 1955823 1954210 249.5 610.5 516.713379164463 0.360451644177523 0.187307212060226 0.880514827528498 0.875703267709564 0.340516328272758 0.0527031805703916 -0.107586275781945 1.64069628662527 TRUE setAH8 ShewMM 8/28/2013 MR1_SB2B_combined_set 200 2904440 1227 1890186 1888425 238 610.5 499.319143310418 0.353876261741177 0.190002816125603 0.895987669371744 0.875703267709564 0.348608038731005 0.0266270359820715 -0.1013551322716 1.80536062859712 TRUE setAH9 Time0 8/28/2013 MR1_SB2B_combined_set 201 2322828 1024 1512241 1511095 185 422 399.549180327869 0.0240544518348909 0.178002412345345 0.891870756814062 0.882018704422018 -0.0218020857626585 0.0196634352646721 0.0235669544976622 1.34009484318945 FALSE setAH10 RCH2_defined_TAPS_Bfr_pH9 8/28/2013 MR1_SB2B_combined_set 202 3033126 1018 1955960 1954291 202 610.5 516.734796404019 0.298033389130855 0.688835960980056 1.29761357130877 0.875703267709564 0.310978590787853 0.0227107663299585 -0.0959574178841595 4.05222210347012 FALSE setAH11 fumarate anaerobic 8/28/2013 MR1_SB2B_combined_set 203 2568292 2241 1765533 1742587 147.5 610.5 460.758064516129 0.336963376853715 0.589682359060387 1.20559771649222 0.875703267709564 0.319625778896532 0.0184435931362984 -0.107921631425059 10.9936395172016 FALSE setAH12 DMSO anaerobic 8/28/2013 MR1_SB2B_combined_set 204 3347722 475 1319338 1318005 19 610.5 348.494182971973 0.146988032432718 1.168639115567 2 0.875703267709564 0.141039408498532 0.0399483457193589 -0.0122277379281611 11.0550488826002 FALSE setAH13 Minimal 10C 8/28/2013 MR1_SB2B_combined_set 205 2835150 1149 1843773 1842275 232 610.5 487.116604970915 0.442668089882642 0.178337950416479 0.900025909243821 0.875703267709564 0.429050450735986 0.0298910275498468 -0.107314690458694 2.13489303115107 TRUE setAH14 Minimal 20C 8/28/2013 MR1_SB2B_combined_set 206 1836313 702 1199301 1198546 157 610.5 316.90798519302 0.330393741394504 0.198651327054676 0.884522782580064 0.875703267709564 0.32106942188513 0.0385773665817874 -0.12381040718338 1.42404468059143 TRUE setAH15 Minimal 25C 8/28/2013 MR1_SB2B_combined_set 207 2792734 1071 1816281 1815003 233 610.5 479.905605499736 0.374464650810457 0.169359722864595 0.882755207881922 0.875703267709564 0.325386939364966 0.0558986357701404 -0.121528944257509 1.89755392946692 TRUE setAH16 Minimal 30C 8/28/2013 MR1_SB2B_combined_set 208 2644391 1032 1717054 1715600 213.5 610.5 453.622421998942 0.464629228870742 0.170346892745483 0.886566303878221 0.875703267709564 0.365641275142074 0.0698950914628768 -0.113378142757027 2.0881446102707 TRUE setAH17 LB 10C 8/28/2013 MR1_SB2B_combined_set 209 2444797 1098 1574713 1573069 186 610.5 415.935748281333 0.240197957969359 0.175159806715277 0.886480709393346 0.875703267709564 0.299394792355427 0.040489743904812 -0.0111254658035539 1.20278130899851 TRUE setAH18 LB 20C 8/28/2013 MR1_SB2B_combined_set 210 2401183 920 1553731 1552521 192.5 610.5 410.502644103649 0.151430235244749 0.174202816668885 0.899435362342414 0.875703267709564 0.232967228411053 0.00710663766469472 -0.0349079011019085 1.27379596052131 TRUE setAH19 LB 25C 8/28/2013 MR1_SB2B_combined_set 211 2616004 1124 1685535 1683870 206.5 610.5 445.2326811211 0.200432896379374 0.172796626757803 0.893356746141543 0.875703267709564 0.179078141152105 -0.0120100904690188 -0.044661377289283 1.01500433389906 TRUE setAH20 LB 30C 8/28/2013 MR1_SB2B_combined_set 212 2560136 1049 1653907 1652619 205.5 610.5 436.969592808038 0.186453407699042 0.173848102540819 0.887525270741587 0.875703267709564 0.224250693040197 0.0437415258615502 -0.036220774182331 1.19193196736167 TRUE setAH21 LB 37C 8/28/2013 MR1_SB2B_combined_set 213 300686 181 196138 195672 15 610.5 51.7377049180328 0.0846072580680655 1.22484730039093 1.38092013140262 0.875703267709564 0.0338519198699718 0.0408569020668583 -0.0545800922579367 5.60245961725274 FALSE setAH22 M1 center 8/28/2013 MR1_SB2B_combined_set 214 1579868 623 957278 956712 98.5 610.5 252.964569011105 0.324736405566973 0.425526518848437 1 0.875703267709564 0.322745231727794 0.0968790233383015 -0.0254292875493503 4.91082158221935 TRUE setAH23 M2 center 8/28/2013 MR1_SB2B_combined_set 215 2408980 804 1465544 1464596 148 610.5 387.254362771021 0.351652113729489 0.36092333100968 0.965845664972272 0.875703267709564 0.339430752320953 0.120329181239038 -0.031066741252878 3.75950376472928 TRUE setAH24 M3 outer 8/28/2013 MR1_SB2B_combined_set 216 5033587 248 847619 846935 32 610.5 223.938392384981 0.262908356687588 0.797481028516552 1.20334460818267 0.875703267709564 0.285468907380345 0.0229690817293193 0.0128272539472471 9.73416968927089 FALSE setAH26 M5 outer 8/28/2013 MR1_SB2B_combined_set 218 4960317 405 925562 924780 59.5 610.5 244.521417239556 0.425092757887404 0.486258627718726 0.981091167436965 0.875703267709564 0.403373063552806 0.119587710875981 0.0072488821060608 8.73215043414075 TRUE setAH27 M6 outer 8/28/2013 MR1_SB2B_combined_set 219 4750774 209 496907 496550 32 610.5 131.292966684294 0.349434624647157 0.583342370602017 1 0.875703267709564 0.409511718581727 0.0934912328452077 -0.000369405163911832 9.35820605657219 FALSE