diff --git a/R_test_data_with_results.csv b/R_test_data_with_results.csv index 374f74b..3cfbe3f 100644 --- a/R_test_data_with_results.csv +++ b/R_test_data_with_results.csv @@ -1,79 +1,79 @@ Sample.ID,HS.mCO2.before,HS.mCO2.after,Temp.insitu,Temp.equil,Alkalinity.measured,Volume.gas,Volume.water,Bar.pressure,Constants,Salinity,mCO2 complete headspace (ppmv),pCO2 complete headspace (micro-atm),CO2 concentration complete headspace (micro-mol/L),pH,mCO2 simple headspace (ppmv),pCO2 simple headspace (micro-atm),CO2 concentration simple headspace (micro-mol/L),% error,pCO2_in_situ_NDIR (ppmv) -Parker105,391.5,506,24.55,29,789.3413,20,10,90.5,2,0,665.912071606448,594.769725935194,22.9577076186791,7.86420630013092,718.60183221209,641.830405281956,24.7742178909203,7.91242010052961,564 -Parker106,391.5,496,24.29,29.2,789.3413,20,10,90.5,2,0,628.323934395337,561.19729644982,21.8146656071582,7.88529005696113,679.138993119666,606.583556647715,23.578904486497,8.08739822608065,508 -Parker107,391.5,601,22.42,26.5,789.3413,20,10,90.5,2,0,953.649763637882,851.767121729369,34.8580257218144,7.69614806493352,1004.44802245475,897.138376828568,36.7148153735068,5.3267206425015,884 -Parker108,391.5,1949,15.5,23.1,789.3413,20,10,90.5,2,0,4397.66904842064,3927.8465223989,197.240011369456,6.96427249863824,4415.64121333634,3943.89864107514,198.046081579214,0.408674793801334,4147 -Parker109,391.5,2896,11.1,22.4,789.3413,20,10,90.5,2,0,6030.49620093943,5386.23149454743,311.849922262201,6.76974804909673,6042.17223442662,5396.66012549331,312.453715053704,0.193616463689609,6009 -Parker110,391.5,3388,8.52,21.8,789.3413,20,10,90.5,2,0,6605.88578574775,5900.14965319686,373.086437939438,6.69568423685203,6615.51035765705,5908.74598932112,373.63001337607,0.145696916680837,6853 -Parker111,391.5,2967,7.55,22.1,789.3413,20,10,90.5,2,0,5500.94996896419,4913.2590396374,321.449614917307,6.75844950970863,5511.00794482738,4922.24247724528,322.037355668688,0.182840707876556,5595 -Parker112,391.5,2455,7.13,19.5,789.3413,20,10,90.5,2,0,4532.46907059181,4048.24525920117,268.835315321427,6.85313516182882,4542.22304437337,4056.95717262068,269.413854871584,0.215202213840803,4618 -Waterloo113,395,512,24.6,23.4,935.2844,10.6755,15,90.5,2,0,606.791107494239,541.96491713031,20.8912853532142,8.00715529578817,628.395194300841,561.260943342967,21.6350951037166,3.56038289615289,666 -Waterloo114,395,498,21.86,25.2,935.2844,20,10,90.5,2,0,632.044624930128,564.520489081437,23.4686721764419,7.94683744100048,680.996986284393,608.243052146436,25.2863395935376,7.74507992369631,537 -Waterloo115,395,503,21.81,26.1,935.2844,20,10,90.5,2,0,631.796974836261,564.299296547561,23.4925900364145,7.94157326223641,684.064406165069,610.982765930804,25.4360899032544,8.2728207653027,553 -Waterloo116,395,470,21.82,26.9,935.2844,20,10,90.5,2,0,528.91338696685,472.407219546015,19.661441748067,8.0139818113338,573.49726040068,512.227999667027,21.3187702483898,8.42933352273493,527 -Waterloo117,395,495,21.8,28.3,935.2844,20,10,90.5,2,0,577.369725168076,515.686751815552,21.4748402440385,7.96924073164713,633.325022344517,565.664095950445,23.5560561708382,9.69141517771002,518 -Waterloo118,395,491,21.83,26.6,935.2844,20,10,90.5,2,0,590.853309666832,527.729825066354,21.9577551462785,7.96804118740611,641.431629683882,572.904638405047,23.8373864328846,8.56021607894014,513 -Waterloo119,395,517,21.76,25.9,935.2844,20,10,90.5,2,0,674.271600077878,602.236168833437,25.1073748553196,7.91401512840968,728.764354445403,650.907220106677,27.1364830227796,8.08172172181524,551 -Waterloo120,395,635,21.55,26.2,935.2844,20,10,90.5,2,0,1016.51925311202,907.919984274741,38.0769756646904,7.73286548323842,1080.99742158465,965.509663492831,40.4922114256658,6.34303465234252,991 -Leclerc121,385.4,659,25.8,26.5,614.2952,10.6755,15,90.5,2,0,865.348094387111,772.899112183899,28.8539073718661,7.66942253923863,884.491005518873,789.996901055593,29.4922028603596,2.21216308857993,1142 -Leclerc122,385.4,739,23.03,27.9,664.9796,20,10,90.5,2,0,1404.11277101575,1254.10516434173,50.4603381127717,7.4550977840002,1445.85909820399,1291.39154589155,51.9605977987234,2.97314632057917,1210 -Leclerc123,385.4,774,20.75,26.8,669.7949,20,10,90.5,2,0,1443.43635877988,1289.22763848585,55.3166283188656,7.42383742820055,1479.97781458357,1321.86520818962,56.7170018903278,2.53155988356698,1306 -Memphrémagog124,402,445,23.19,25.9,1211.616,20,10,90.5,2,0,471.485480890908,421.114591864072,16.8692837384924,8.19587542938564,511.568177810013,456.915076158956,18.3034029526296,8.50136399605904,354 -Memphrémagog125,402,401,22.85,25.8,1211.616,20,10,90.5,2,0,369.053600672924,329.625964578334,13.3291809402939,8.29688444212261,367.949236333533,328.639584388698,13.2892943978596,-0.299242261117985,325 -Memphrémagog126,402,409,22.81,26.2,1211.616,20,10,90.5,2,0,381.409948756964,340.662229089615,13.7907600082494,8.28025861011159,388.982619076979,347.425877389258,14.064567441289,1.98544121481216,313 -Memphrémagog127,402,394,22.8,26.1,1211.616,20,10,90.5,2,0,351.51333522928,313.959603634343,12.7133083389978,8.3154090046061,342.362197699301,305.786122790888,12.3823358796022,-2.60335430062969,308 -Memphrémagog128,402,375,20.8,25.3,1211.616,20,10,90.5,2,0,304.185392119571,271.687914994534,11.640541487138,8.35719768137591,273.491308028885,244.273016300164,10.4659428097404,-10.0905845204495,289 -Memphrémagog129,402,396,20.73,25.5,1211.616,20,10,90.5,2,0,340.6379570965,304.246090473558,13.0617249446624,8.30713630105042,334.329166010357,298.61129557303,12.8198150453578,-1.85205170319763,300 -Memphrémagog130,402,401,20.6,24.9,1211.616,20,10,90.5,2,0,354.707065094664,316.81213314648,13.6521367391431,8.29163075650774,353.699610252533,315.912309181883,13.6133613308788,-0.284024464486395,306 -Memphrémagog131,402,471,20,25.2,1211.616,20,10,90.5,2,0,500.292299498147,446.843850032887,19.5925612996538,8.13562739960389,551.399259442444,492.490826346323,21.5940237378165,10.215420064543,432 -Gilbert132,387,369,25.1,24.4,1019.098,10.6755,15,90.5,2,0,367.275899993087,328.038183561553,12.4763656090592,8.25897319748389,360.567189790833,322.046194681179,12.2484706634608,-1.82661323609313,322 -Gilbert133,387,420,24.47,24,1019.098,20,10,90.5,2,0,477.348470621918,426.351212349209,16.4924531724059,8.14198203603551,503.731522942098,449.915645953712,17.4039911403999,5.5270004920738,316 -Gilbert134,387,393,24.45,23.9,1019.098,20,10,90.5,2,0,407.658113163614,364.106185455782,14.0922562083023,8.20986499510172,413.153791959373,369.014736465071,14.2822352891241,1.34810975626359,310 -Gilbert135,387,375,23.93,23.6,1019.098,20,10,90.5,2,0,362.038989911833,323.360755855128,12.6931559945061,8.256288117349,350.286014597605,312.863403119499,12.2810944397564,-3.24632861148184,315 -Gilbert136,387,316,21.59,22.5,1019.098,20,10,90.5,2,0,235.265338656934,210.130897097977,8.80263310046407,8.41866185565921,151.581413939522,135.387297917855,5.671534869422,-35.5700185990599,214 -Gilbert137,387,308,16.73,20.5,1019.098,20,10,90.5,2,0,202.65129186085,181.001153845615,8.74978315597207,8.43425458354407,123.483287449867,110.291019138544,5.33158204249097,-39.0661237261411,176 -Gilbert138,387,661,13.94,19,1019.098,20,10,90.5,2,0,1009.67955622374,901.811002598061,47.5755918453277,7.71790974146753,1050.83695075364,938.571369782424,49.5149075336584,4.07628284401711,884 -Gilbert139,387,1744,11.64,17.6,1019.098,20,10,90.5,2,0,3663.78818037918,3272.36940857948,186.081521680449,7.13728462457046,3683.62040853972,3290.08287167871,187.088788206989,0.541303895971779,3436 -Gilbert140,387,3076,9.93,17.9,1019.098,20,10,90.5,2,0,6555.84789018746,5855.45752836877,352.689637649095,6.85763279208771,6568.33279866501,5866.60861859545,353.361297199589,0.190439264099409,6495 -Stukely141,393,339,24.1,24.2,1019.098,10.6755,15,90.5,2,0,314.749314886898,281.123246950548,10.9842221592987,8.31439372913838,292.946800769845,261.649992298752,10.223351055325,-6.92694569482622,340 -Stukely142,393,386,23.25,24.5,492.4445,20,10,90.5,2,0,359.739999420543,321.307376733867,12.8498602142276,7.93355118487448,357.010155424292,318.869174102131,12.7523505855654,-0.758838049882565,309 -Stukely143,393,380,23.02,25,492.4445,20,10,90.5,2,0,335.961717766928,300.069434571004,12.0769736150567,7.95742012467222,330.495271946566,295.18699344845,11.8804687204531,-1.62710378334055,290 -Stukely144,393,403,23.02,24.8,492.4445,20,10,90.5,2,0,403.235362574779,360.155936965384,14.4952909124363,7.88000319561644,406.662154822542,363.216629769948,14.6184754223727,0.849824337300622,287 -Stukely145,393,394,22.94,26.2,492.4445,20,10,90.5,2,0,362.690090541807,323.942296511557,13.066701912232,7.91707362259505,363.090625932786,324.30004092689,13.0811320736721,0.11043461109752,289 -Stukely146,393,417,21.32,27.1,492.4445,20,10,90.5,2,0,400.0482802777,357.30934483229,15.0832710245562,7.85069426723967,408.12697814554,364.52495950823,15.3878672332477,2.01943072027016,308 -Stukely147,393,558,16.73,24,492.4445,20,10,90.5,2,0,748.966175203494,668.950790583925,32.3377737393757,7.5381006716852,765.696811909839,683.894019026306,33.0601448720621,2.23383074700265,857 -Stukely148,393,829,13.16,21.8,492.4445,20,10,90.5,2,0,1371.12362904646,1224.64039900029,66.2508457696589,7.24076403718414,1383.7909562643,1235.95441936263,66.8629139479357,0.923864701146367,1346 -Stukely149,393,971,11.79,23.4,492.4445,20,10,90.5,2,0,1611.16691096293,1439.03879044801,81.424109757359,7.14158367556224,1623.48004788769,1450.03646024018,82.0463830957685,0.764237202302628,1494 -Peasley171,403,515,22.91,24.1,847.5521,20,10,90.5,2,0,711.500071910157,635.487357590616,25.6546625013935,7.87219827438747,753.141820463222,672.680333105567,27.1561451396577,5.85266961973317,639 -Peasley172,403,984,18.67,22.8,847.5521,20,10,90.5,2,0,2013.39570791215,1798.29569766641,81.9908687016167,7.37754293242376,2048.91730490475,1830.02236460775,83.4374033215363,1.76426307322569,1965 -Peasley173,403,2845,13.55,21.4,847.5521,20,10,90.5,2,0,6464.70149836841,5774.04871060786,308.453279188335,6.81166127273528,6478.08611216828,5786.00338663932,309.091905429358,0.207041482166609,6362 -Peasley174,403,3764,10.45,21.5,847.5521,20,10,90.5,2,0,7920.74300456301,7074.5348325976,418.657897186463,6.6784495928897,7931.22189482599,7083.89421644956,419.211768226064,0.132296809237976,7448 -Peasley175,403,3737,8.18,20.2,847.5521,20,10,90.5,2,0,7383.41898936412,6594.61552960723,421.985065542092,6.68355468863009,7392.60802576661,6602.82286041824,422.510247186823,0.124455031141078,7223 -Peasley176,403,3838,7.3,20.9,847.5521,20,10,90.5,2,0,7304.42266957455,6524.05873769057,430.636608778147,6.67009134341674,7313.5030468579,6532.16901791897,431.171947853747,0.124313415229551,7218 -Orford177,399,322,23.4,23.3,866.0733,10.6755,15,90.5,2,0,286.937757833492,256.282922121204,10.2071347678493,8.28153257205364,259.55837054152,231.828596437281,9.23317756521282,-9.54192557253491,366 -Orford178,399,421,22.47,27.9,866.0733,20,10,90.5,2,0,396.411466822728,354.061068319338,14.4695016703783,8.10750302344761,412.962477364927,368.843860858879,15.0736337269161,4.17520983306989,310 -Orford179,399,394,22.38,27.3,866.0733,20,10,90.5,2,0,338.385604026493,302.234366290625,12.3825852841505,8.17706490741127,334.143044470296,298.445058224148,12.2273367898216,-1.25376478955185,292 -Orford180,399,405,22.32,27.1,866.0733,20,10,90.5,2,0,364.647110770311,325.690239572792,13.365991306671,8.14539997870019,369.392748820242,329.928880022027,13.5399407362605,1.30143305946011,290 -Orford181,399,407,22.29,27.3,866.0733,20,10,90.5,2,0,367.10668005846,327.887042144492,13.4674517009803,8.1411626404071,373.411599307747,333.518378853699,13.6987501220683,1.71746241399991,301 -Orford182,399,408,22.23,27.2,866.0733,20,10,90.5,2,0,369.778046560906,330.273014692939,13.5882736202874,8.13784190942595,376.790873599659,336.536630256788,13.8459747292109,1.8964963182576,299 -Orford183,399,353,19.08,25.8,866.0733,20,10,90.5,2,0,241.255107227829,215.480752076176,9.70606008233837,8.28870405349557,199.345573191615,178.048599791178,8.01997575420782,-17.3714598284698,207 -Orford184,399,419,15.83,25.7,866.0733,20,10,90.5,2,0,340.936735112795,304.512948706716,15.1349510181175,8.09947088177617,352.294528518199,314.657338572879,15.639149097001,3.33134926092545,311 -Orford185,399,527,12.68,23.3,866.0733,20,10,90.5,2,0,565.134573016326,504.758735336565,27.7364058766553,7.85257159264591,597.44563532585,533.617863281415,29.3222100042272,5.71741030407469,458 -Orford186,399,699,10.55,22.8,866.0733,20,10,90.5,2,0,915.708745665047,817.879511302114,48.2372756767424,7.6165552710183,948.938265991487,847.558974312653,49.9877247580475,3.6288307263361,804 -Brome187,398.3,494,23.3,22.6,866.0733,10.6755,15,90.5,2,0,566.613152012991,506.079351168771,20.2114742527497,7.99312752321614,582.351005125535,520.135859500231,20.7728541145614,2.77753049971261,574 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