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{"sheet":"Procedure","index":0,"n_rows":30,"n_cols":8,"rows_kept":30,"cut":false,"hidden":false,"merged":[]}
["TREC",{"$f":"Calculation!E1","v":"version 4.3"},{"$f":"Calculation!F1","v":"date 2019-05-15"}]
[]
["Procedure overview:"]
["A","First step: preparation and settings"]
[1,"Obtain the kinetic information for the residue decline data for which you want to calculate the TWA concentrations"]
[2,"Obtain the exposure scenario information for which you want to calculate the TWA concentrations"]
[3,"Go to the “first input” – sheet in TREC"]
[4,"Enter the name of the compound for which you want to calculate the TWA concentrations"]
[5,"Select whether you want to include a metabolite in the assessment (drop-down menu)"]
[6,"If appropriate, enter the name of the metabolite"]
[7,"Select the kind of residue input in the drop-down menu: either application rate x RUD, or directly the residue increase in [mg/kg]"]
[8," Select the kind of calculation in the drop-down menu: either single calculation or multiple calculations (for more than 1 trial)"]
[9,"Click on “open sheet”, and TREC will produce the data input sheet corresponding with your selections (either single or multiple calculations)"]
[]
["B","Single calculation",null,null,null,null,"C","Multiple calculations"]
[1,"Enter length of the moving time window (C8)",null,null,null,null,1,"Click buttons “clear results” and “clear inputs” (latter if you need an empty sheet)"]
[2,"Select type of residue kinetic (C9)",null,null,null,null,2,"Define the length of the moving time window (C7)"]
[3,"Enter parameter for the selected kinetic (C10, C11, C12)",null,null,null,null,3,"Enter all data as for single calculation for each trial (each row is one trial), start with B14"]
[4,"Enter trial identifier (eg, study number) (C14)",null,null,null,null,4,"Click button “run all calcs”"]
[5,"Enter application rate in cells C18, C 19 etc. as appropriate",null,null,null,null,5,"Obtain calculation results in columns Q to AA"]
[6,"Enter application interval in cells D19 etc. as appropriate",null,null,null,null,6,"Find plots per evaluated trial in the same directory where your TREC file is stored, rename or copy elsewhere if you want to keep them"]
[7,"Obtain calculation results in cells C31:D37"]
[]
[]
[]
["Changelog:"]
["Version","Date","Description"]
["v4.3","2019-05-15","cleanup of documentation part; added MAF averaging output for multiple calcs and result tables"]
["v4.2","2019-05-06","finalization of documentation, cleanup, provision of version information"]
["previous","-","development and testing versions"]

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[null,null,{"$f":"Calculation!E1","v":"version 4.3"},{"$f":"Calculation!F1","v":"date 2019-05-15"}]
[]
[null,null,"This TREC version allows TWA calculations in different ways"]
[null,null,"Depending on what you select on this \"first input\" sheet, different views appear when you click \"open sheet\""]
[null,null,"Here and in the following views, enter your data into the yellow-marked cells, or select from the drop down menu in the bluish marked cells"]
[null,null,"Click on buttons to launch your selected options in TREC"]
[]
[null,null,"Actice substance name:","KinGui TREC exercise","add name of chemical for which the residue decline is calculated"]
[null,null,"Calculation incl. metabolite?","no","select \"yes\" if you want to run a combined evaluation of parent with metabolite, otherwise select \"no\""]
[null,null,{"$f":"IF(inclMet=\"yes\",\"Metabolite name:\",\"\")","v":""},"metabolite name",{"$f":"IF(AND(inclMet=\"no\",MetName<>\"\"),\"incorrect input, delete metabolite name\",IF(AND(inclMet=\"yes\",MetName=\"\"),\"missing input\",\"\"))","v":"incorrect input, delete metabolite name"}]
[]
[null,null,"Kind of input:","Appl. rate (kg a.s./ha) & RUD","select \"AR & RUD\" for standard calculations acc. to EFSA GD to provide MAF and fTWA; \nor select residue increase if you want to work with measured residues"]
[]
[null,null,"Kind of calculation:","multiple","select multiple if you want TREC to process more than one trial; otherwise select \"single\""]
[]
[null,null,null,null,"Click on button to launch your selected options in TREC"]
[]
[]
[null,null,"General infomations"]
[null,null,"TREC generates charts which are saved in the same directory as the TREC file you are running"]
[null,null,"In these charts,   the x-axis standard is 60 days , when you want to modify this value change the value in cell C7 (MultipleCals) or Cell BB38 (Calculation) respectively and click the buttons Run all calcs or Save single chart again"]
[null,null,"When you create new charts they will overwrite the old files present in the same directory"]
[null,null,"Kind of calculation:","multiple => you can process up to 100 trials at once using consistent settings"]
[null,null,null,"single => you can run single trial using combination of appl. rates and appl. intervals"]

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[null,{"$f":"IF(inclMet=\"no\",\"TWA residue calculator (PAR)\",\"TWA residue calculator (PAR->MET)\")","v":"TWA residue calculator (PAR)"},null,null,"version 4.3","date 2019-05-15",null,null,null,"settings","settings","settings","settings","settings","settings","SFO","SFO","SFO","SFO","SFO","SFO","SFO","DFOP","DFOP","DFOP","DFOP","DFOP","DFOP","DFOP","FOMC","FOMC","FOMC","FOMC","FOMC","FOMC","FOMC","HS","HS","HS","HS","HS","HS","HS","SFO met","SFO met","SFO met","SFO met","SFO met","SFO met",{"$f":"IF(inclMet=\"yes\",\"SFO met\",\"\")","v":""},null,"title:",{"$f":"trialID","v":"15-2950-03"}]
[null,"Lubos Vrbka, Petra Zerbe, BAG Crop Science Environmental Safety / Reporting & Data Management"]
[null,"usage: enter your data into the yellow-marked cells\ntool is protected against accidental modification (no password)"]
[null,null,null,null,null,null,null,null,null,null,"parent"]
[null,{"$f":"IF(inclMet=\"yes\",\"VERSION WITH PARENT - METABOLITE SUPPORT\",\"\")","v":""},null,null,null,null,null,null,null,null,"metabolite"]
[]
[null,"PARENT",null,null,"METABOLITE",{"$f":"IF(AS21,\"USED\",\"NOT USED\")","v":"NOT USED"}]
[null,"TWA interval (days):",21,null,"TWA interval (days):"]
[null,"kinetics type:","DFOP",null,"kinetics type:","SFO",null,null,null,"kinetics type","SFO","DFOP","FOMC","HS",null,{"$f":"V1","v":"SFO"},"parent",null,null,null,null,null,{"$f":"AC1","v":"DFOP"},null,null,null,null,null,null,{"$f":"AJ1","v":"FOMC"},null,null,null,null,null,null,{"$f":"AN1","v":"HS"},null,null,null,null,null,null,"SFO","metabolite"]
[null,{"$f":"HLOOKUP(CalcType,K9:N15,2,FALSE) & \" (\" & HLOOKUP(CalcType,K9:N15,5,FALSE) & \"):\"","v":"DT50 (1) (days):"},3.0875152808906248,null,"DT50 (days):",null,null,null,null,"SFO","DT50","DT50 (1)","alpha","DT50 (1)",null,{"$f":"K10","v":"DT50"},{"$f":"C10","v":3.0875152808906248},{"$f":"K13","v":"days"},null,null,null,null,{"$f":"L10","v":"DT50 (1)"},{"$f":"C10","v":3.0875152808906248},{"$f":"L13","v":"days"},{"$f":"IF(CalcType=$W$9,Z14,\"\")","v":""},null,null,null,{"$f":"M10","v":"alpha"},{"$f":"C10","v":3.0875152808906248},{"$f":"M13","v":"-"},{"$f":"IF(CalcType=$AD$9,AG14,\"\")","v":""},null,null,null,{"$f":"N10","v":"DT50 (1)"},{"$f":"C10","v":3.0875152808906248},{"$f":"N13","v":"days"},{"$f":"IF(CalcType=$AK$9,AN14,\"\")","v":""},null,null,null,{"$f":"K10","v":"DT50"},{"$f":"param_met","v":0},"days"]
[null,{"$f":"HLOOKUP(CalcType,K9:N15,3,FALSE) & \" (\" & HLOOKUP(CalcType,K9:N15,6,FALSE) & \"):\"","v":"DT50 (2) (days):"},4.0511232060779969,null,null,null,null,null,null,"DFOP","-","DT50 (2)","beta","DT50 (2)",null,null,null,null,null,null,null,null,{"$f":"L11","v":"DT50 (2)"},{"$f":"C11","v":4.0511232060779969},{"$f":"L14","v":"days"},{"$f":"IF(CalcType=$W$9,Z15,\"\")","v":""},null,null,null,{"$f":"M11","v":"beta"},{"$f":"C11","v":4.0511232060779969},{"$f":"M14","v":"-"},{"$f":"IF(CalcType=$AD$9,AG15,\"\")","v":""},null,null,null,{"$f":"N11","v":"DT50 (2)"},{"$f":"C11","v":4.0511232060779969},{"$f":"N14","v":"days"},{"$f":"IF(CalcType=$AK$9,AN15,\"\")","v":""}]
[null,{"$f":"HLOOKUP(CalcType,K9:N15,4,FALSE) & \" (\" & HLOOKUP(CalcType,K9:N15,7,FALSE) & \"):\"","v":"g (-):"},1,null,"molar mass ratio met/par:",null,null,null,null,"FOMC","-","g","-","tb",null,null,null,null,null,null,null,null,{"$f":"L12","v":"g"},{"$f":"C12","v":1},{"$f":"L15","v":"-"},{"$f":"IF(CalcType=$W$9,Z18,\"\")","v":""},null,null,null,null,null,null,null,null,null,null,{"$f":"N12","v":"tb"},{"$f":"C12","v":1},{"$f":"N15","v":"days"},{"$f":"IF(CalcType=$AK$9,AN18,\"\")","v":""}]
[null,null,null,null,"formation fraction:",null,null,null,null,"HS","days","days","-","days"]
[null,"trial:","15-2950-03",null,null,null,null,null,null,null,"-","days","-","days",null,"k",{"$f":"IFERROR(LN(2)/Q10,999)","v":0.22450000000000001},null,null,null,null,null,"k1",{"$f":"IFERROR(LN(2)/X10,999)","v":0.22450000000000001},null,{"$f":"IF(OR(dfop_k1=999,dfop_k1<0),\"invalid, expecting nonzero positive value\", \"\")","v":""},null,null,null,"alpha",{"$f":"IF(AE10=\"\",999,AE10)","v":3.0875152808906248},null,{"$f":"IF(fomc_a<=0,\"invalid, expecting positive non-zero value\",\"\")","v":""},null,null,null,"k1",{"$f":"IFERROR(LN(2)/AL10,999)","v":0.22450000000000001},null,{"$f":"IF(OR(hs_k1=999,hs_k1<0),\"invalid, expecting nonzero positive value\", \"\")","v":""},null,null,null,"k",{"$f":"IFERROR(LN(2)/AS10,999)","v":999}]
[null,null,null,null,null,null,null,null,null,null,"-","-","-","days",null,"int_factor",{"$f":"(1-EXP(-sfo_k*dt))/sfo_k","v":4.9720422065233728E-2},null,null,null,null,null,"k2",{"$f":"IFERROR(LN(2)/X11,999)","v":0.1711},null,{"$f":"IF(OR(dfop_k2=999,dfop_k2<0),\"invalid, expecting nonzero positive value\", \"\")","v":""},null,null,null,"beta",{"$f":"IF(AE11=\"\",999,AE11)","v":4.0511232060779969},null,{"$f":"IF(fomc_b<=0,\"invalid, expecting positive non-zero value\",\"\")","v":""},null,null,null,"k2",{"$f":"IFERROR(LN(2)/AL11,999)","v":0.1711},null,{"$f":"IF(OR(hs_k2=999,hs_k2<0),\"invalid, expecting nonzero positive value\", \"\")","v":""}]
[null,null,{"$f":"IF(KindOfInput=\"residue increase (mg/kg)\",\"Tested parent rate\", \"Application rate\")","v":"Application rate"},"RUD","Parent residue increase","Application interval","Parent residue increase","DAT1",null,null,null,null,null,null,null,null,null,null,null,null,null,null,"int_factor1",{"$f":"(1-EXP(-dfop_k1*dt))/dfop_k1","v":4.9720422065233728E-2},null,null,null,null,null,"int_factor",{"$f":"IF(fomc_a = 1, fomc_b, fomc_b/(-fomc_a+1))","v":-1.9406436173964732},null,null,null,null,null,"int_factor1",{"$f":"(1-EXP(-hs_k1*dt))/hs_k1","v":4.9720422065233728E-2}]
[null,null,"(kg a.s./ha)","(mg/kg / kg/ha)","(mg/kg)","(days)","(mg/kg)","(days)",null,"data for calculation",null,null,null,null,null,null,null,null,null,null,null,null,"int_factor2",{"$f":"(1-EXP(-dfop_k2*dt))/dfop_k2","v":4.9786733598013076E-2},null,null,null,null,null,null,null,null,null,null,null,null,"int_factor2",{"$f":"(1-EXP(-hs_k2*dt))/hs_k2","v":4.9786733598013076E-2}]
[null,"Application   1",1,54.2,null,0,{"$f":"IF(KindOfInput=\"residue increase (mg/kg)\",E18,C18*D18)","v":54.2},{"$f":"SUM(F$18:F18)","v":0},null,"type",{"$f":"CalcType","v":"DFOP"},null,null,null,null,null,null,null,null,null,null,null,"g",{"$f":"IF(X12=\"\",1,X12)","v":1},null,{"$f":"IF(OR(g<0,g>1),\"invalid, expecting value in interval 0-1\", \"\")","v":""},null,null,null,null,null,null,null,null,null,null,"tb",{"$f":"IF(AL12=\"\",0,AL12)","v":1},null,{"$f":"IF(OR(hs_tb<0,INT(hs_tb/dt) <>(hs_tb/dt)),\"invalid, expecting non-negative integer multiple of timestep (\" & dt & \")\", \"\")","v":""},null,null,null,"molar mass",{"$f":"molmasscorr","v":0}]
[null,"Application   2",1,54.2,null,10,54.2,{"$f":"SUM(F$18:F19)","v":10},null,"steps per day",20,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"tb_prefactor",{"$f":"EXP(-hs_k1*hs_tb)","v":0.79891557669992186},null,null,null,null,null,"FF",{"$f":"ff","v":0}]
[null,"Application   3",null,null,null,null,0,{"$f":"SUM(F$18:F20)","v":10},null,"timestep",{"$f":"1/K19","v":0.05}]
[null,"Application   4",null,null,null,null,0,{"$f":"SUM(F$18:F21)","v":10},null,"TWA no of steps",{"$f":"int_TWA*K19","v":420},"metabolite",{"$f":"int_TWA_met*K19","v":0},null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"metabolite?",{"$f":"AND(AS10>0,AS18>0,AS19>0)","v":false}]
[null,"Application   5",null,null,null,null,0,{"$f":"SUM(F$18:F22)","v":10}]
[null,"Application   6",null,null,null,null,0,{"$f":"SUM(F$18:F23)","v":10},null,"data sources"]
[null,"Application   7",null,null,null,null,0,{"$f":"SUM(F$18:F24)","v":10},null,"kinetics type","residue","TWA"]
[null,"Application   8",null,null,null,null,0,{"$f":"SUM(F$18:F25)","v":10},null,"SFO",{"$f":"COLUMN(P51)","v":16},{"$f":"COLUMN(Q51)","v":17}]
[null,"Application   9",null,null,null,null,0,{"$f":"SUM(F$18:F26)","v":10},null,"DFOP",{"$f":"COLUMN(W53)","v":23},{"$f":"COLUMN(Z53)","v":26}]
[null,"Application 10",null,null,null,null,0,{"$f":"SUM(F$18:F27)","v":10},null,"FOMC",{"$f":"COLUMN(AD53)","v":30},{"$f":"COLUMN(AE53)","v":31}]
[null,{"$f":"IF(MIN(C18:C27)=MAX(C18:C27),\"\",\"MAF: Unequal application rates! Use residue values for ETE calculation!\")","v":""},null,null,null,null,null,null,null,"HS",{"$f":"COLUMN(AK53)","v":37},{"$f":"COLUMN(AO53)","v":41}]
[]
[]
[null,null,"PARENT",null,"METABOLITE"]
[null,null,"residue",{"$f":"\"parent TWA \" &int_TWA & \"d\"","v":"parent TWA 21d"},"residue",{"$f":"\"metabolite TWA \" &int_TWA & \"d\"","v":"metabolite TWA 21d"}]
[null,"maximum",{"$f":"MAX(C53:C3703)","v":59.941272688246158},{"$f":"IF(C18=\"\",\"\",MAX(D53:D3703))","v":21.916924425786291},{"$f":"IF(F7=\"NOT USED\",\"\",MAX(E53:E3703))","v":""},{"$f":"IF(F7=\"NOT USED\",\"\",MAX(F53:F3703))","v":""}]
[null,"timing (start)",{"$f":"(MATCH(C33,C53:C3703,0)/$K$19)-(1/$K$19)","v":10},{"$f":"IF(C18=\"\",\"\",(MATCH(D33,D53:D3703,0)/$K$19)-(1/$K$19))","v":0},{"$f":"IF(F7=\"NOT USED\",\"\",(MATCH(E33,E53:E3703,0)/$K$19)-(1/$K$19))","v":""},{"$f":"IF(F7=\"NOT USED\",\"\",(MATCH(F33,F53:F3703,0)/$K$19)-(1/$K$19))","v":""}]
[null,"timing (end)","-",{"$f":"IF(C18=\"\",\"\",D34+int_TWA)","v":21},"-",{"$f":"IF(F7=\"NOT USED\",\"\",F34+int_TWA)","v":""}]
[null,"fTWA","-",{"$f":"IF(C33=0,\"\",D33/C33)","v":0.36563995795978427},"-",{"$f":"IF(F7=\"NOT USED\",\"\",F33/E33)","v":""}]
[null,"MAF",{"$f":"IF(C33=0,\"\",IF(MIN(C18:C27)=MAX(C18:C27),C33/G18,\"-\"))","v":1.1059275403735453},"-","-","-"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"x-axis maximum:"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,{"$f":"IF(BB38=\"\",xAxisMaxMultiple,BB38)","v":28}]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,{"$f":"P9","v":"SFO"},null,null,null,null,null,null,{"$f":"W9","v":"DFOP"},null,null,null,null,null,null,{"$f":"AD9","v":"FOMC"},null,null,null,null,null,null,{"$f":"AK9","v":"HS"},null,null,null,null,null,null,{"$f":"AR9","v":"SFO"},null,null,"calculation"]
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{"sheet":"MultipleCalcs","index":3,"n_rows":113,"n_cols":36,"rows_kept":113,"cut":false,"hidden":false,"merged":[]}
["Use for evaluation of a range of trials at once",null,null,null,null,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"batch processing howto:",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Transfer","Selector",36]
[null,{"$f":"Calculation!E1","v":"version 4.3"},{"$f":"Calculation!F1","v":"date 2019-05-15"},null,null,null,null,null,null,null,null,null,null,null,null,null,1,"enter application data on this sheet"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,2,"enter the kinetic parameters on this sheet"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,3,"click \"Run all calcs\""]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"     (copies sequentially the parameters for individual trials to the calculation sheet, retrieves the results, and writes them in the table below)"]
[null,"x-axis maximum:",28,null,"Rough guide: Days after last appl. + 21?",null,null,null,null,null,null,null,null,null,null,null,4,"use \"Clear results\" in order to clean up the result in this sheet"]
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[null,null,null,null,null,null,null,null,null,null,null,null,null,null,"molmass corr.:",{"$f":"ROUND(IFERROR(N10/I10,1),3)","v":1},null,null,null,null,null,"geometric mean:","geometric mean:",{"$f":"IFERROR(GEOMEAN(X14:X113),\"-\")","v":"-"},{"$f":"IFERROR(GEOMEAN(Y14:Y113),\"-\")","v":"-"},{"$f":"IFERROR(GEOMEAN(Z14:Z113),\"-\")","v":1.1605950338738977},{"$f":"IFERROR(GEOMEAN(AA14:AA113),\"-\")","v":0.34075877612853894},{"$f":"IFERROR(GEOMEAN(AB14:AB113),\"-\")","v":"-"}]
[null,null,null,null,null,null,null,null,"[g/mol]",null,null,null,null,"[g/mol]",null,null,null,null,null,null,null,"median:","median:",{"$f":"IFERROR(MEDIAN(X14:X113),\"-\")","v":"-"},{"$f":"IFERROR(MEDIAN(Y14:Y113),\"-\")","v":"-"},{"$f":"IFERROR(MEDIAN(Z14:Z113),\"-\")","v":1.1429361929892208},{"$f":"IFERROR(MEDIAN(AA14:AA113),\"-\")","v":0.35971755764774238},{"$f":"IFERROR(MEDIAN(AB14:AB113),\"-\")","v":"-"}]
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