ASTM E2056-2004 使用代用品混合物校正的多变量分析中使用的分光计和分光光度计鉴定的标准规程

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【英文标准名称】:StandardPracticeforQualifyingSpectrometersandSpectrophotometersforUseinMultivariateAnalyses,CalibratedUsingSurrogateMixtures
【原文标准名称】:使用代用品混合物校正的多变量分析中使用的分光计和分光光度计鉴定的标准规程
【标准号】:ASTME2056-2004
【标准状态】:现行
【国别】:
【发布日期】:2004
【实施或试行日期】:
【发布单位】:美国材料与试验协会(US-ASTM)
【起草单位】:E13.11
【标准类型】:(Practice)
【标准水平】:()
【中文主题词】:红外线光谱法;分光计;分光光度计;化学分析和试验;定量分析;混合物
【英文主题词】:fluorescencespectroscopy;infraredspectroscopy;molecularspectroscopy;multivariateanalysis;quantitativeanalysis;Ramanspectroscopy;spectrometerqualification;spectrophotometerqualification;ultraviolet-visiblespectroscopy
【摘要】:Thispracticeshouldbeusedbythedeveloperofstandardtestmethodsthatemploysurrogatecalibrations.5.1.1Thispracticeassiststhetestmethoddeveloperinsettinganddocumentingrequirementsforthespectrometer/spectrophotometersthatcanperformthetestmethod.5.1.2Thispracticeassiststhetestmethoddeveloperinsettinganddocumentingspectraldatacollectionandcomputationparametersforthetestmethod.5.1.3Thispracticeassiststhetestmethoddeveloperinselectingamongpossiblemultivariateanalysisproceduresthatcouldbeusedtoestablishthesurrogatecalibration.Thepracticedescribesstatisticalteststhatshouldbeperformedtoensurethatallmultivariateanalysisproceduresthatareallowedwithinthescopeofthetestmethodproducestatisticallyindistinguishableresults.5.1.4ThispracticedescribesstatisticalcalculationsthatthetestmethoddevelopershouldperformonthecalibrationandqualificationdatathatshouldbecollectedaspartoftheILSthatestablishesthetestmethodprecision.Thesecalculationsestablishthelevelofperformancethatspectrometers/spectrophotometersmustmeetinordertoperformthetestmethod.Thispracticedescribeshowthepersonwhocalibratesaspectrometer/spectrophotometercantesttheperformanceofsaidspectrometer/spectrophotometertodetermineiftheperformanceisadequatetoconductthetestmethod.Thispracticedescribeshowtheuserofaspectrometer/spectrophotometercanqualifythespectrometer/spectrophotometertoconductthetestmethod.1.1Thispracticerelatestothemultivariatecalibrationofspectrometersandspectrophotometersusedindeterminingthephysicalandchemicalcharacteristicsofmaterials.AdetaileddescriptionofgeneralmultivariateanalysisisgiveninPracticeE1655.Thisstandardrefersonlytothoseinstanceswheresurrogatemixturescanbeusedtoestablishasuitablecalibrationmatrix.Thispracticespecifiescalibrationandqualificationdatasetrequirementsforinterlaboratorystudies(ILSs),thatis,roundrobins,ofstandardtestmethodsemployingsurrogatecalibrationtechniquesthatdonotconformexactlytoPracticesE1655.Note1--Forsomemultivariatespectroscopicanalyses,interferencesandmatrixeffectsaresufficientlysmallthatitispossibletocalibrateusingmixturesthatcontainsubstantiallyfewerchemicalcomponentsthanthesamplesthatwillultimatelybeanalyzed.WhilethesesurrogatemethodsgenerallymakeuseofthemultivariatemathematicsdescribedinPracticesE1655,theydonotconformtoproceduresdescribedtherein,specificallywithrespecttothehandlingofoutliers.1.2ThispracticespecifieshowtheILSdataistreatedtoestablishspectrometer/spectrophotometerperformancequalificationrequirementstobeincorporatedintostandardtestmethods.Note2--Spectrometer/spectrophotometerqualificationproceduresareintendedtoallowtheusertodetermineiftheperformanceofaspecificspectrometer/spectrophotometerisadequatetoconducttheanalysissoastoobtainresultsconsistentwiththepublishedtestmethodprecision.1.2.1Thespectroscopiesusedinthesurrogatetestmethodswouldincludebutnotbelimitedtomid-andnear-infrared,ultraviolet/visible,fluorescenceandRamanspectroscopies.1.2.2Thesurrogatecalibrationscoveredinthispracticeare:multilinearregression(MLR),principalcomponentsregression(PCR)orpartialleastsquares(PLS)mathematics.ThesecalibrationproceduresaredescribedindetailinPracticesE1655.1.3Forsurrogatetestmethods,thispracticerecommendslimitationsthatshouldbeplacedoncalibrationoptionsthatareallowedinthetestmethod.Specifically,thispracticerecommendsthatthetestmethoddeveloperdemonstratethatal......
【中国标准分类号】:N53
【国际标准分类号】:71_040_50
【页数】:10P.;A4
【正文语种】: