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【英文标准名称】:StandardPracticesforInfraredMultivariateQuantitativeAnalysis
【原文标准名称】:红外多变量定量分析的标准规程
【标准号】:ASTME1655-2005
【标准状态】:现行
【国别】:
【发布日期】:2005
【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】:材料试验;测量;分光光度法;光谱学;校正;定量分析;分光计;红外线;分析方法
【英文主题词】:infraredanalysis;molecularspectroscopy;multivariateanalysis;quantitativeanalysis
【摘要】:Thesepracticescanbeusedtoestablishthevalidityoftheresultsobtainedbyaninfrared(IR)spectrometeratthetimethecalibrationisdeveloped.Theongoingvalidationofestimatesproducedbyanalysisofunknownsamplesusingthecalibrationmodelshouldbecoveredseparately(seeforexample,PracticeD6122).Thesepracticesareintendedforallusersofinfraredspectroscopy.Near-infraredspectroscopyiswidelyusedforquantitativeanalysis.Manyofthegeneralprinciplesdescribedinthesepracticesrelatetothecommonmodernpracticesofnear-infraredspectroscopicanalysis.Whilesamplingmethodsandinstrumentationmaydiffer,thegeneralcalibrationmethodologiesareequallyapplicabletomid-infraredspectroscopy.Newtechniquesareunderstudythatmayenhancethosediscussedwithinthesepractices.Userswillfindthesepracticestobeapplicabletobasicaspectsofthetechnique,toincludesampleselectionandpreparation,instrumentoperation,anddatainterpretation.Thecalibrationproceduresdefinetherangeoverwhichmeasurementsarevalidanddemonstratewhetherornotthesensitivityandlinearityoftheanalysisoutputsareadequateforprovidingmeaningfulestimatesofthespecificphysicalorchemicalcharacteristicsofthetypesofmaterialsforwhichthecalibrationisdeveloped.1.1Thesepracticescoveraguideforthemultivariatecalibrationofinfraredspectrometersusedindeterminingthephysicalorchemicalcharacteristicsofmaterials.Thesepracticesareapplicabletoanalysesconductedinthenearinfrared(NIR)spectralregion(roughly780to2500nm)throughthemidinfrared(MIR)spectralregion(roughly4000to400cm-1).Note18212;Whilethepracticesdescribedhereindealspecificallywithmid-andnear-infraredanalysis,muchofthemathematicalandproceduraldetailcontainedhereinisalsoapplicableformultivariatequantitativeanalysisdoneusingotherformsofspectroscopy.Theuseriscautionedthattypicalandbestpracticesformultivariatequantitativeanalysisusingotherformsofspectroscopymaydifferfrompracticesdescribedhereinformid-andnear-infraredspectroscopies.1.2ProceduresforcollectingandtreatingdatafordevelopingIRcalibrationsareoutlined.Definitions,terms,andcalibrationtechniquesaredescribed.Criteriaforvalidatingtheperformanceofthecalibrationmodelaredescribed.1.3TheimplementationofthesepracticesrequirethattheIRspectrometerhasbeeninstalledincompliancewiththemanufacturer''sspecifications.Inaddition,itassumesthat,atthetimesofcalibrationandofvalidation,theanalyzerisoperatingattheconditionsspecifiedbythemanufacturer.1.4Thesepracticescovertechniquesthatareroutinelyappliedinthenearandmidinfraredspectralregionsforquantitativeanalysis.Thepracticesoutlinedcoverthegeneralcasesforcoarsesolids,finegroundsolids,andliquids.Alltechniquescoveredrequiretheuseofacomputerfordatacollectionandanalysis.1.5Thesepracticesprovideaquestionnaireagainstwhichmultivariatecalibrationscanbeexaminedtodetermineiftheyconformtotherequirementsdefinedherein.1.6Forsomemultivariatespectroscopicanalyses,interferencesandmatrixeffectsaresufficientlysmallthatitispossibletocalibrateusingmixturesthatcontainsubstantiallyfewerchemicalcomponentsthanthesamplesthatwillultimatelybeanalyzed.Whilethesesurrogatemethodsgenerallymakeuseofthemultivariatemathematicsdescribedherein,theydonotconformtoproceduresdescribedherein,specificallywithrespecttothehandlingofoutliers.Surrogatemethodsmayindicatethattheymakeuseofthemathematicsdescribedherein,buttheyshouldnotclaimtofollowtheproceduresdescribedherein.1.7Thisstandarddoesno......
【中国标准分类号】:G04
【国际标准分类号】:71_040_50
【页数】:29P.;A4
【正文语种】: