HAPSITE-ER-定量方法编辑培训

HAPSITEER/SmartPlusTrainingHAPSITEER/SmartPlus培训,AdvancedQuantitativeMethodWriting编辑高级定量方法,CourseOutline课程概要,Introduction前言StandardPreparation标样准备StandardAnalysis标样分析DevelopingtheCalibrationLibrary建立校准曲线库QuantitativeMethodVerification定量方法验证SIMQuantSIM定量,Introduction前言,Aquantitativemethodisusedtocalculateconcentrationsofchemicalsthatarecontainedinthemethodcalibrationlibrary定量方法用于计算包含在方法校准库内的化合物浓度Foreachquantitativemethod:对于每个定量方法:Determinethechemicalstobeanalyzed确定要分析的化合物Determinethecalibrationrangeoftheanalytes确定分析的校准范围Preparestandardsforthecalibrationlibrary为校准库准备标样UseaHAPSITEERorSmartPlusdefaultmethodasatemplatetocreateaspecificquantitativemethod用HAPSITEER或SmartPlus默认方法作为创建特定定量方法的模板Createacalibrationlibrary创建校准曲线库Verifythemethod验证方法,校准,DetermineSamplingMethod确定采样方法,Thecalibrationrangemustencompassthehighestacceptablelimit校准范围必须包含可接受的最高限值Forthisexercise,acalibrationrangeof1ppmandlowerwillbecreated本例中,将创建1ppm和较低的校准范围NOTE:Foranaccuratecalibration,aminimumofthreeconcentrationsofthestandardarerecommended注:为精确校准,建议至少三个标准浓度,DeterminetheBackgroundEnvironment确定本底环境,Runablankoutsidetheareaofinterestusing在感兴趣区域外运行空样ER_Air_Tri-Bed_PPM_StandardfortheER对于ER,用ER_Air_Tri-Bed_PPM_StandardAir_Tri-Bed_PPM_StandardfortheSmartPlus对于SmartPlus,Air_Tri-Bed_PPM_StandardItisnecessarytoestablishabaselineblankincleanairtodeterminetheenvironmentoutsideofthesamplingarea为确定采样区域外的环境,建立清洁空气中的基线空样是必要的,StandardPreparation标准准备,SyringePreparationforSampling为采样准备取样针SyringeTechniques取样针技术CreatingCalibrationStandards创建校准标准AirSampleConcentrationCalculations空气样品浓度计算,SyringePreparationforSampling为采样准备取样针,Topreparethesyringeforsampling:为采样准备取样针:Inserttheneedleintoavialofmethanol将针头插入甲醇瓶中Drawtheplungertothe10Lmarktofillthewithmethanol拉柱塞至10微升标记处,用甲醇注入芯管Expelthemethanolintoawastevial将甲醇排入废瓶中Repeatthisprocessthreetimesbeforeandaftersyringeuse在取样针使用前和使用后,重复这个过程三次,Practicepropersyringetechniqueusingmethanol用甲醇练习正确的取样针技术Drawthesyringeplungerbacktothe1lmark抽回针管柱塞至1微升标记处Insertthetipofthesyringeneedleintothemethanol将针头的针尖插入甲醇中Becarefulnottomovetheplunger注意不要移动柱塞Carefullydrawtheplungerbacktothe4.5lmark小心地将柱塞抽回至4.5微升标记处Withdrawthesyringefromthevial从样瓶中撤回针管Becarefulnottomovetheplunger注意不要移动柱塞,SyringeTechniques取样针技术,SyringeTechniques取样针技术,Drawtheplungerbacktothe6Lmark抽回柱塞至6微升标记处Verifythatthereisa3.5Lplugofliquidbetweenthe1Land4.5Lmark证实在1微升与4.5微升标记之间有3.5微升液柱Injectthisliquidintoawastevial将这些液体注入废瓶中Disregardsmallairpocketsthatmayappearneartheplunger不管柱塞附近可出现的小空气泡Repeatthissameproceduretopreparethestandard重复同样顺序准备标样,CreatingCalibrationStandards创建校准标准,Forthisexercise,thesamplebeingusedisthe2000g/mLSpexCertiPrepBTEXStandard本练习中,使用的样品为2000微克/毫升的SpexCertiPrepBTEX标准Thisstandardisamixtureofbenzene,tolueneethylbenzene,o-xylene,p-xylene(BTEX)这个标准是苯,甲苯,乙苯,邻二甲苯,对二甲苯的混合物(BTEX),CreatingCalibrationStandards创建校准标准,Preparethesamplesin1LTedlarbagsorequivalent准备样品于1升的Tedlar袋或等效物中Usinga1LAirSyringe,inject1Lofbackgroundairusedfortheblankintoa1LTedlarbag用1升的空气针管,将1升本底空气用作空样,注入1升的Tedlar袋Labelthebag“Bag5”将袋标志为“袋5”Injecttheamountofstandardindicatedbelowintothebag按下表将标准的量注入袋中NOTE:Tosavetimeinclass,chromatographicdatafrompreviousrunsforBags1-4willbeused注:为节省时间,将使用先前运行的袋1-4的色谱数据,AirSampleConcentrationCalculations,Whentheliquidsampleisinjectedintothebag,theconcentrationofeachchemicalbecomesdependantuponitsmolecularweightTheIdealGasLawtakesintoconsiderationtheinteractionofaliquidchemicalasitismixedintoagasmatrixPV=nRTistheIdealGasLawP=Pressure(inkPa);standardpressureis101.235kPaV=Volume(inL)n=molesoftheanalyte(foundfromitsmolecularweight)R=GasConstant(8.314(LxkPaxmol-1xK-1)T=Temperature(inKelvins);standardtemperatureis298.15KTheexamplecalculationforbenzeneinBag5isshownonthenextslide,空气样品浓度计算,当将液体样品注入袋中时,每种化合物的浓度取决于它的分子量当液体化合物混合入气体混合物时,理想气体定律考虑其相互作用PV=nRT是理想气体定律P=压强(仟帕);标准压强为101.235kPaV=容积(升)n=分析物的克分子数(从它的分子量得到)R=气体常数(8.314(升x仟帕x克分子-1xK-1)T=温度(K);标准温度为298.15K袋5中苯的实例计算示于下页中,AirSampleConcentrationCalculations,PVbenzene=nRTVbenzene=nRT/PWhere:n=2000g/mLx2.5Lx1mL/1000Lx1mol/78gx1g/(1x106g)R=8.314LxkPa/molxKT=298.15KP=1/101.235kPaThen:Vbenzene=0.000001568L=1.568x10-6L,OriginalStandardConcentration,Amountofsampleinjected,Molecularweightofbenzene,空气样品浓度计算,PV苯=nRTV苯=nRT/P其中:n=2000微克/毫升x2.5微升x1毫升/1000微升x1克分子/78克x1克/(1x106微克)R=8.314升x仟帕/克分子xKT=298.15KP=1/101.235仟帕于是:V苯=0.000001568升=1.568x10-6升,初始标准浓度,样品注入量,苯的分子量,AirSampleConcentrationCalculations,DividethevolumeofanalytebythevolumeofairorN2intheTedlarbagtofindtheconcentrationinppmvVBenzene=1.568x10-6L=1.568ppmvVAir1LppmvstandsforpartspermillionpervolumeThisisthemeasurementofasampleinpartspermillioninavolumeofagasmatrix,空气样品浓度计算,将分析物的容积除以在Tedlar袋中空气或氮气的容积得到浓度ppmvV苯=1.568x10-6升=1.568ppmvV空气1升ppmv代表百万分之几/容积这是测量样品在气体基质容积中百万分之几,AirSampleConcentrationCalculations,TheIdealGasLawwasusedtocalculatetheconcentrationofeachanalyteinallfivebagsamplesTheresultsaredisplayedinthetablebelowNOTE:WhenusingtheHAPSITEstandardcolumn,m-andp-xylenewillco-elute.Theidentificationforthepeakwillbep-xyleneandwillhavetwicetheintensityandbetwiceasconcentratedaso-xylene,空气样品浓度计算,理想气体定律用于计算在全部5袋样品中每种分析物的浓度结果显示于下表中注:当使用HAPSITE标准柱时,间二甲苯和对二甲苯色谱峰重叠.峰的鉴别将是对二甲苯并有两倍的强度,其浓度两倍于邻二甲苯,StandardAnalysis标准分析,ProcedureforStandardAnalysis标准分析的顺序AdjustingtheTemperatureProfile调整温度配置,ProcedureforStandardAnalysis标准分析顺序,Verifythattheconcentratorisclean证实浓缩器是清洁的TICislessthan5,000,000TIC低于5,000,000Manuallyrunaconcentratorcleanoutifnecessary必要时手动运行浓缩器清理RunBag5usingER_Air_Tri-Bed_PPM_StandardfortheERorAir_Tri-Bed_PPM_StandardfortheSmartPlus对于ER,用ER_Air_Tri-Bed_PPM_Standard或对于SmartPlus,用Air_Tri-Bed_PPM_StandardAlwaysstartwiththehighestconcentrationstandardtoverifythatallexpectedcompoundsarepresentinthechromatogram始终用中高浓度标准开始,证实全部预期的化合物存在于色谱图中,ProcedureforStandardAnalysis标准分析顺序,DataFileInformation数据文件信息Whilethemethodisrunning,recordthesampledescriptionandconcentrationunitsintheDataFileInformationwindow在方法运行时,记录在数据文件信息窗口中的样品说明和浓度单位Unit:ppmv单位:ppmvDescription:Bag5说明:袋5ClickOK单击OKTheinformationenteredwillnowbesavedtothedatafile此时,键入的信息将保存于数据文件中,ProcedureforStandardAnalysis标准分析顺序,DeterminethatallcompoundsinthestandardhavebeenidentifiedbyusingdatareviewtechniquesintheERIQ/PlusIQsoftware确定全部标准中的化合物已用在ERIQ/PlusIQ软件中的数据查看技术识别,ProcedureforStandardAnalysis标准分析顺序,Verifythatsaturationdidnotoccur证实未发生饱和Displayedasverticalredlinesinthepeakarea在峰区显示为垂直的红线Ifsaturationdidoccur,re-runthestandardatalowerconcentration如发生饱和,在低点的浓度下重新运行标准Recordtheretentiontimesandtargetionsforeachchemical为每种化合物记录滞留时间和靶离子Takenoteofthelargestmassfragment,theQ.Ion,foreachcompound注意每种化合物的最大质量片断,Q.离子,NOTE:Whenperforminganactualcalibration,repeatthisprocessusingtheotherconcentrations注:当执行实际校准时,用其它浓度重复这个过程,AdjustingtheTemperatureProfile调整温度配置,Ifalltheexpectedanalyteswerenotidentified,itmayindicatethatco-elutionhasoccurred如未检测到预期的分析物,可能已发生共洗提AdjustingtheTemperatureProfilemayallowforseparationoftheco-elutingcompounds调整温度配置可允许分离共洗提化合物OpenMethodEditor打开方法编写器,HighlightthedesiredHAPSITEsensor选择所需的HAPSITE传感器ClickHAPSITEDefaultMethod单击HAPSITE默认方法,AdjustingtheTemperatureProfile调整温度配置,AdjustingtheTemperatureProfile调整温度配置,Recallthemethodbeingusedforthecalibration调出用于校准的方法HighlightER_Air_Tri-Bed_PPM_StandardfortheERorAir_Tri-Bed_PPM_StandardfortheSmartPlus对于ER选择ER_Air_Tri-Bed_PPM_Standard,对于SmartPlus选择Air_Tri-Bed_PPM_StandardClickLoad单击Load,AdjustingtheTemperatureProfile调整温度配置,SelectNextuntiltheInletpageappears选Next,直到出现Inlet页面,AdjustingtheTemperatureProfile调整温度配置,AdjusttheGCTemperatureProfiles调整GC温度配置TheRampRatecanbeadjustedfrom0.1C/minto30C/min升温速率可从0.1C/分调整至30C/分Temp(Temperature)rangeisfrom60Cto200C温度范围从60C至200CClickSave单击保存NOTE:Upto4profilescanbeentered注:可键入多至4个配置,AdjustingtheTemperatureProfile调整温度配置,Enterthenewmethodname键入新方法名ClickOK单击OK,AdjustingtheTemperatureProfile调整温度配置,Re-runBag5withthenewmethod用新方法再运行袋5Repeattheprocessuntilalltheanalytesareidentified重复过程,直到识别全部分析物,DevelopingtheCalibrationLibrary详述校准库,BuildingtheLibraryTemplate建立库模板CalibratingtheLibrary库校准AdjustingCalibrationSearchParameters调整校准搜索参数RemovingOutlyingPoints除去无关的点,BuildingtheLibraryTemplate建立库模板,Whenalldatafilesforthecalibrationcurveareacceptable,opentheCalibrationsectionofERIQ/PlusIQby:当全部用于校准曲线的数据文件是可接受的时,用下列方法打开ERIQ/PlusIQ校准部分:UsingtheCalibrateicononthetoolbar用工具条上的校准图标SelectingCalibratefromtheFunctionsdrop-downmenu从功能下拉菜单选校准Right-clickingontheHAPSITEicon右击HAPSITE图标SelectCalibrate选校准,BuildingtheLibraryTemplate建立库模板,AccessthemethodfortheCalibrationLibraryTemplate为校准库模板进入方法IntheSelectFileTypebox在选文件类型框中EnsureGC/MSisselected确保选定GC/MSEnsureSelectMethodFirstischecked确保勾选首先选方法ThiswillallowthemethodtobeselectedpriortoenteringtheCalibratescreen这将允许在进入校准屏前选方法ClickOK单击OK,BuildingtheLibraryTemplate建立库模板,Selectthemethodusedtorunthecalibrationstandards选用于运行校准标准的方法Double-clickonAnalyze双击分析,BuildingtheLibraryTemplate建立库模板,Double-clickonConcentrator双击浓缩器,BuildingtheLibraryTemplate建立库模板,Selectthemethodusedforthecalibration选用于校准的方法Fortraining,select为培训,选ER_Air_Tri-Bed_PPM_Standard.mth为ER,选ER_Air_Tri-Bed_PPM_Standard.mthAir_Tri-Bed_PPM_Standard.mthfortheSmartPlus为SmartPlus,选Air_Tri-Bed_PPM_Standard.mthAlternately,selectthemodifiedmethodusedinthestandardanalysis或者,选在标准分析中使用的修改方法ClickOK单击OK,BuildingtheLibraryTemplate建立库模板,Recallthedatafilesforuseincalibrationlibrarytemplate为用于校准库模板,调出数据文件IntheDataFilessection,clickonBrowse在数据文件部分,单击浏览,BuildingtheLibraryTemplate建立库模板,Double-clickonAnalyze双击Analyze,BuildingtheLibraryTemplate建立库模板,Double-clickonConcentrator双击Concentrator,BuildingtheLibraryTemplate建立库模板,Double-clickondatafolder双击数据文件夹Fortraining,select为培训,选ER_Air_Tri-Bed_PPM_StandardfortheER对于ER,选ER_空气_Tri-Bed_PPM_标准Air_Tri-Bed_PPM_StandardfortheSmartPlus对于SmartPlus选空气_Tri-Bed_PPM_标准Alternately,selectthemodifiedmethodusedinthestandardanalysis或者,选用于标准分析中的修改方法,BuildingtheLibraryTemplate建立库模板,RecallandselectthedatafileforBag5,whichisthemostconcentratedstandard为袋5,调出和选数据文件,它是最浓缩的标准ThedescriptionenteredinDataFileInfowillbedisplayedatthebottomoftheSelectDataFilesscreen将在选数据文件窗口底部显示在数据文件信息中键入的说明SelectthedatafileforBag5为袋5选数据文件ClickOK单击OK,BuildingtheLibraryTemplate建立库模板,SelectBuild/EditTemplate选建立/编写模板SelectppmvfortheConcentrationUnit(fortheoverallstandard)选浓缩单位ppmv(用于全部标准),BuildingtheLibraryTemplate建立库模板,SettheConcentrationReferencecolumntoAnalyte将ConcentrationReferenceColumn设定于AnalyteSelectAnalyteforstandardsthatcontainanalyteswithdifferentconcentrations将不同浓度的分析物的标准选AnalyteThisismostcommonwithliquidstandardsdilutedintoagas最通常的是用液体标准稀释在气体中SelectGlobalforstandardsthatcontainanalytesthatallhavethesameconcentration为包含全部同样浓度的分析物标准选GlobalThisismostcommonwithliquidstandardsdilutedintoaliquid最通常的是用液体标准稀释在液体中,BuildingtheLibraryTemplate建立库模板,SettheConcentration/Factorto5设定浓缩/因素为5WhenAnalyteisselected,theindividualstandardconcentrationswillbemultipliedbytheconcentrationfactor当分析物选定时,单个标准浓度将用浓缩因素倍乘NOTE:Theindividualconcentrationswillbeenteredlaterinthetraining注:在培训中,单个浓度将随后键入Fortheexample,theresultingconcentrationforeachanalyteinthedatafileisshowninthetable本例中,在数据文件中每个分析物形成的浓度示于表中Thepreviouslycalculatedconcentrationsofeachanalyteismultipliedbyafactorof5将先前计算的每个分析物浓度倍乘一个因素5,X,=,BuildingtheLibraryTemplate建立库模板,Forfuturecalibrationlibraries,ifGlobalisselected,alltheconcentrationsofalltheanalytesinthestandardarethesame为未来的校准库,如选了Global,在标准中全部分析物的浓度是相同的Theexampletotherightshowstheconcentrationofalltheanalytesinthisdatafileare4ppmv右例表示在这个数据文件中,全部分析物的浓度为4ppmv,BuildingtheLibraryTemplate建立库模板,SetPeakSearchtoSearch设定峰搜索至搜索CheckSelect勾选SelectClickStart单击Start,BuildingtheLibraryTemplate建立库模板,AllAMDISidentificationswillbemarkedwitharedToverthepeakinthechromatogram全部AMDIS鉴别将在色谱图的峰上用红T标志Thehighlightedcompoundinthelibrarytemplatewillcorrespondtothepeakwiththereddottedline在库模板中点亮的化合物相应于红色虚线的峰,BuildingtheLibraryTemplate建立库模板,Forallanalytesinthecalibrationstandard,verifythefollowing:为全部校准标准分析物,证实下面各项:NetFitisgreaterthan70NetFit大于70HoverthecursoroverthechemicalnametodisplaytheNetFit光标在化合物名上停留显示NetFitCompoundhascorrectQ.Ion(quantion,ortargetion)化合物有正确的Q.离子(quant离子,或靶离子)ComparewiththeQ.Ionpreviouslyrecordedforeachcompound为每个化合物与先前记录的Q.离子比较TheretentiontimeinthetemplateisinagreementwiththeretentiontimerecordedfortheBag5chromatogram模板中的滞留时间与为袋5色谱图记录的滞留时间相一致,BuildingtheLibraryTemplate建立库模板,Clearanyempty(unidentified)compounds清除任何空的(未鉴别的)化合物Right-clickonthecompound右击该化合物SelectClearAllEmptyCompoundEntries选清除全部空化合物条目Whenthemessageboxappears,clickYes当这个信息框出现时,单击是,BuildingtheLibraryTemplate建立库模板,Thefollowingshouldberemovedfromthetemplate下列各项应从模板中移除Duplicatecompounds重复的化合物Duplicateinternalstandards重复的内部标准Analytesnotfoundinthestandard标准中未找到的分析物Toclearanyoftheabove为清除以上任一项Clickontheanalyte单击分析物ClicktheDeletebuttononthekeyboard单击键盘上的删除按钮ClickYesonthemessagebox单击信息框上的是,BuildingtheLibraryTemplate建立库模板,Changeanymisidentifiedcompounds更改任何误识别的化合物Iftheincorrectcompoundisidentified,clickonthedrop-downmenu如识别了不正确的化合物,单击下拉菜单Selectthecorrectidentification选正确的IDAlternately,typeinthecorrectidentification或者,键入正确的ID,BuildingtheLibraryTemplate建立库模板,p-Xyleneando-xylenecanbeidentifiedatdifferentretentiontimes对二甲苯和邻二甲苯可鉴别于不同的滞留时间Usetheretentiontimetoverifythecorrectidentification用滞留时间来证实正确的IDp-Xyleneelutesatanearlierretentiontimethano-xylene对二甲苯比邻二甲苯洗提于较早的滞留时间,BuildingtheLibraryTemplate建立库模板,SettheISRef.(ISReference)foreachcompoundtocorrespondtotheinternalstandardcontainingtheclosestQ.Ion为每个化合物设定ISRef.(IS参考)相当于内部标准包含最接近的Q.离子AlltheQ.Ionsforthechemicalsinthisstandardareeither78or91在这个标准中,化合物的全部Q.离子为78或91Theseareallcloserto117,whichistheQ.IonforBPFB这些全部接近于117,对BPFB它是Q.离子.IntheISRef.column,inserta(2),whichistheISReferencenumberofBPFB在ISRef.栏中,输入(2),它是BPFB的IS参考数.,BuildingtheLibraryTemplate建立库模板,Enterthelowestconcentrationofeachanalyte为每个分析物键入最低浓度Forthisexercise,thelowestconcentrationforeachanalyteisfoundinBag1,asshowninthetable,本练习,袋1中每个分析物的最低浓度示于下表中TheconcentrationofTrisandBPFBarealreadypresentTris和BPFB的最低浓度已经存在,BuildingtheLibraryTemplate建立库模板,TheConcentrationcolumncontainstheindividualconcentrationofeachanalyteatthelowestconcentration浓度栏包含在最低浓度下每个分析物的单个浓度ThisistheconcentrationthatwillbemultipliedbythefactorenteredintotheConcentration/Factorcolumn这个浓度将由因素倍乘输入浓度/因数栏中Ifafactorof2isentered,theconcentrationsdisplayedintheBag1columnwillbemultipliedby2如键入因素2,在袋1栏显示的浓度将倍乘2袋2中的浓度结果显示于下表中,SavingtheLibraryTemplate保存库模板,ClickonSaveLibrary单击保存库FillintheEnterLibraryNameandEnterCreatorNamefields在键入库名和键入创建者名两个区域中填上名称ClickOK单击OK,SavingtheLibraryTemplatetotheMethod保存库模板至方法,ThesavedlibraryshouldappearintheLibrariesfield保存的库应出现在库区域ClickonSaveintheMethodarea单击方法区的保存按钮,SavingtheLibraryTemplatetotheMethod保存库模板至方法,Double-clickonAnalyze双击分析,SavingtheLibraryTemplatetotheMethod保存库模板至方法,Double-clickonConcentrator双击浓缩器,SavingtheLibraryTemplatetotheMethod保存库模板至方法,Changethemethodname更改方法名Re-namethemethodforthisexerciseasER_Air_Tri-Bed_PPM_5STD_Quant.mth为这个练习如ER_空气_Tri-Bed_PPM_5STD_定量.mth更改方法名Air_Tri-Bed_PPM_5STD_Quant.mthfortheSmartPlus对于SmartPlus为空气_Tri-Bed_PPM_5标准_定量.mthClickOKtosavethenewquantmethod单击OK保存新的定量方法,CalibratingtheLibrary校准库,VerifythatCalibrateLibraryisselected证实校准库已选定,CalibratingtheLibrary校准库,Addtherestofthestandarddatafiles添加其余的标准数据文件IntheDataFilesectionofthelibrarytemplate:在库模板的数据文件部分:ClickBrowse单击浏览SelectAnalyze选分析SelectConcentrator选浓缩器SelectER_Air_Tri-Bed_PPM_Standard选ER_空气_Tri-Bed_PPM_标准SelectdatafilesforBags1-4为袋1-4选数据文件datafilesER_Air_Tri-Bed_PPM_Standard_02-_05数据文件ER_Air_Tri-Bed_PPM_Standard_02-_05Air_Tri-Bed_PPM_Standard_02-_05)空气_Tri-Bed_PPM_标准_02-_05)ClickOK单击OK,CalibratingtheLibrary校准库,TheDataFileNamefieldwillnowpopulate现填写数据文件名区SettheConcentrationReference(Co)toAnalyteforallconcentrations为分析物的全部浓度设定浓度参考(Co)EntertheConcentration/Factor(Conc/Fac)tocorrespondtotheamountofstandardinjectedintoeachbag键入浓度/因素(Conc/Fac)于注入每个袋相应的标准量InthisexampletheConc/Facwillrangefrom1-5本例中Conc/Fac范围从1-5CheckallboxesunderSelect(Se)勾选Select(Se)下面的全部框ClickStart单击Start,CalibratingtheLibrary校准库,WhenStartisclicked,thefollowingmessageisdisplayed当单击Start时,将显示下面的信息:Thisindicatesthatifcalibrationpointsforananalytealreadyexistinthecalibrationcurve,thenaduplicatewillnotbeentered这表示如分析物的校准点已经存在于校准曲线中,将不再重复输入ClickOK单击OK,CalibratingtheLibrary校准库,SelecttheCalibrationtab选校准标签条,CalibratingtheLibrary校准库,Verifythatthecurvefitsthedatapoints证实曲线拟合数据点Lookforgeneraltrends寻找一般趋势Forexample,ifthecurveappearslinear,choosethecurvefitthatisLinear,orLinear,ForcedthroughtheOrigin例如,如曲线出现线性,选曲线拟合线性,或线性,强迫通过原点Forthistrainingexample,thebestfitisLinear,ForcedthroughtheOrigin本培训实例中,最好的拟合是线性,强迫通过原点VerifythattheRSDofRF%foreverycompoundis20%证实每个化合物RSD的RF%20%,CalibrationSearchParameters校准搜索参数,ThedefaultLibrarySearchParametersmaynotallowforthedetectionofallindividualcompounds默认的库搜索参数可能不许可检测全部单个化合物Theconcentrationmaybetoolow浓度可能太低AdjustingtheLibrarySearchParametersmayallowthesecompoundstobedetected调整库搜索参数使这些化合物可检测TheLibrarySearchParameterscanbeadjustedintwoways调整库搜索参数的两个途径SearchSettingsadjustsallofthecompoundsatonce搜索设定值一次调整全部化合物View/Editadjustsonecompoundatatime查看/编写一次调整一个化合物,AdjustingCalibrationSearchParameters调整校准搜索参数,AccesstheLibrarySearchParametersforallthechemicalsbyclickingSearchSettings点击搜索设定值,为全部化合物查访库搜索参数,AdjustingCalibrationSearchParameters调整校准搜索参数,Todisplaythecalibrationcurveofananalyte,thefollowingparameterscanbeadjusted:为显示分析物的校准曲线,可调整下列参数:SearchWindow搜索窗口Alibrarywillsearchforachemicalinthissetrange在这个设定范围为化合物搜索库0:30=+/-0:15seconds秒MinTICArea最小TIC面积MinimumFit最小匹配度MinimumPurity最低纯度ClickOK单击OK,AdjustingCalibrationSearchParameters调整校准搜索参数,Toresetthelibrarywiththenewparameters:用新参数重新设定库ChecktheResetLibrarybox勾选重新设定库框VerifythatPeakSearchissettoSearch证实峰搜索是设定于搜索ClickStart单击Start,AdjustingtheCalibrationSearchParameters调整校准搜索参数,RechecktheCalibration再检查校准SelecttheCalibrationtab选校准标签条Verifythecurveisdisplayedand%RSDofRFis20%,去除无关的点提高曲线的精度ClickonanynumberundertheConc.(RatiotoIS)column单击Conc.(RatiotoIS)栏下的任何数ThecorrespondingpointwillshowwithapinkXonthecurve相应的点将用粉红色X表示在曲线上Usetheupanddownarrowsonthekeyboardtoselecttheoutlyingpoint用键盘上的向上向下箭头键选无关的点ClickDelete单击删除,SavingtheQuantMethod保存定量方法,Whenallofthecompoundsare20%,savebothth