ASTM E1790-2004(2010) 近红外线定性分析的标准实用规程
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【英文标准名称】:StandardPracticeforNearInfraredQualitativeAnalysis
【原文标准名称】:近红外线定性分析的标准实用规程
【标准号】:ASTME1790-2004(2010)
【标准状态】:现行
【国别】:美国
【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】:
【英文主题词】:molecularspectroscopy;near-infrared;qualitativeanalysis;Mahalanobisdistance;Infrared(IR)analysis--metals/alloys;Infraredspectroscopy;Molecularspectroscopy;Near-infraredanalysis/instruments;Qualitativeanalysis/measurement
【摘要】:NIRspectroscopyisawidelyusedtechniqueforquantitativeanalysis,anditisalsobecomingmorewidelyusedfortheidentificationoforganicmaterials,thatis,qualitativeanalysis.Ingeneral,however,theconceptofqualitativeanalysisasusedintheNIRspectralregiondiffersfromthatusedinthemid-IRspectralregioninthatNIRqualitativeanalysisreferstotheprocessofautomatedcomparisonofthespectraofunknownmaterialstothespectraofknownmaterialsinordertoidentifytheunknown.Thisapproachconstitutesalibrarysearchmethodinwhicheachusergenerateshisownlibrary.Historically,NIRspectroscopyaspracticedwithclassicalUV-VIS-NIRinstrumentsusingmethodssimilartothosedescribedinPracticeE1252wasnotconsideredtobeastrongtechniqueforqualitativeanalysis.Althoughthepositionsandintensitiesofabsorptionbandsinspecificwavelengthrangeswereusedtoconfirmthepresenceofcertainfunctionalgroups,thespectrawerenotconsideredtobespecificenoughtoallowunequivocalidentificationofunknownmaterials.AfewimportantlibrariesofNIRspectraweredevelopedforqualitativepurposes,butthelackofsuitabledatahandlingfacilitieslimitedthescopeofqualitativeanalysisseverely.Furthermore,earlierworkwaslimitedalmostentirelytoliquidsamples.Currently,themid-IRprocedureofdeducingthestructureofanunknownmaterialbymethodofanalysisofthelocations,strengths,andpositionalshiftsofindividualabsorptionbandsisgenerallynotusedintheNIR.WiththedevelopmentofspecializedNIRinstrumentsandmathematicalalgorithmsfortreatingthedata,itbecamepossibletoobtainawealthofinformationfromNIRspectrathathadhithertogoneunused.Whilethemathematicalalgorithmsdescribedinthispracticecanbeappliedtospectraldatainanyregion,thispracticedescribestheirapplicationtotheNIR.TheapplicationofNIRspectroscopytoqualitativeanalysisinthemannerdescribedisrelativelynew,andproceduresforthisapplicationarestillevolving.Theapplicationofchemometricmethodstospectroscopyhaslimitations,andthelimitationsarenotalldefinedyetsincethetechniquesarerelativelynew.Oneareaofconcerntosomescientistsistheeffectoflow-levelcontaminants.Anyanalyticalmethodologyhasitsdetectionlimits,andNIRisnodifferentinthisregard,butneitherwouldweexpectittobeanyworse.SincetherelativelybroadcharacterofNIRbandsmakesitunlikelythatacontaminantwouldnotoverlapanyofthemeasuredwavelengths,thequestionwouldonlybeoneofdegree:whetheragivenamountofcontaminantcouldbedetected.Theusermustbeawareoftheprobablecontaminantsheisliabletorunintoandaccountforthepossibilityofthisoccurring,perhapsbyincludingdeliberatelycontaminatedsamplesinthetrainingset.1.1Thispracticecoverstheuseofnear-infrared(NIR)spectroscopyforthequalitativeanalysisofliquidsandsolids.ThepracticeiswrittenundertheassumptionthatmostNIRqualitativeanalyseswillbeperformedwithinstrumentsdesignedspecificallyforthisregionandequippedwithcomputerizeddatahandlingalgorithms.Inprinciple,however,thepracticealsoappliestoworkwithliquidsamplesusinginstrumentsdesignedforoperationovertheultraviolet(UV),visible,andmid-infrared(IR)regionsifsuitabledatahandlingcapabilitiesareavailable.ManyFourierTransformInfrared(FTIR)(normallyconsideredmid-IRinstruments)haveNIRcapability,oratleastextended-rangebeamsplittersthatallowoperationto1.2x03BC;m;thispracticealsoappliestodatafromtheseinstruments.1.2ThevaluesstatedinSIunitsareto......
【中国标准分类号】:A42
【国际标准分类号】:71_040_50
【页数】:8P.;A4
【正文语种】:英语
【原文标准名称】:近红外线定性分析的标准实用规程
【标准号】:ASTME1790-2004(2010)
【标准状态】:现行
【国别】:美国
【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】:
【英文主题词】:molecularspectroscopy;near-infrared;qualitativeanalysis;Mahalanobisdistance;Infrared(IR)analysis--metals/alloys;Infraredspectroscopy;Molecularspectroscopy;Near-infraredanalysis/instruments;Qualitativeanalysis/measurement
【摘要】:NIRspectroscopyisawidelyusedtechniqueforquantitativeanalysis,anditisalsobecomingmorewidelyusedfortheidentificationoforganicmaterials,thatis,qualitativeanalysis.Ingeneral,however,theconceptofqualitativeanalysisasusedintheNIRspectralregiondiffersfromthatusedinthemid-IRspectralregioninthatNIRqualitativeanalysisreferstotheprocessofautomatedcomparisonofthespectraofunknownmaterialstothespectraofknownmaterialsinordertoidentifytheunknown.Thisapproachconstitutesalibrarysearchmethodinwhicheachusergenerateshisownlibrary.Historically,NIRspectroscopyaspracticedwithclassicalUV-VIS-NIRinstrumentsusingmethodssimilartothosedescribedinPracticeE1252wasnotconsideredtobeastrongtechniqueforqualitativeanalysis.Althoughthepositionsandintensitiesofabsorptionbandsinspecificwavelengthrangeswereusedtoconfirmthepresenceofcertainfunctionalgroups,thespectrawerenotconsideredtobespecificenoughtoallowunequivocalidentificationofunknownmaterials.AfewimportantlibrariesofNIRspectraweredevelopedforqualitativepurposes,butthelackofsuitabledatahandlingfacilitieslimitedthescopeofqualitativeanalysisseverely.Furthermore,earlierworkwaslimitedalmostentirelytoliquidsamples.Currently,themid-IRprocedureofdeducingthestructureofanunknownmaterialbymethodofanalysisofthelocations,strengths,andpositionalshiftsofindividualabsorptionbandsisgenerallynotusedintheNIR.WiththedevelopmentofspecializedNIRinstrumentsandmathematicalalgorithmsfortreatingthedata,itbecamepossibletoobtainawealthofinformationfromNIRspectrathathadhithertogoneunused.Whilethemathematicalalgorithmsdescribedinthispracticecanbeappliedtospectraldatainanyregion,thispracticedescribestheirapplicationtotheNIR.TheapplicationofNIRspectroscopytoqualitativeanalysisinthemannerdescribedisrelativelynew,andproceduresforthisapplicationarestillevolving.Theapplicationofchemometricmethodstospectroscopyhaslimitations,andthelimitationsarenotalldefinedyetsincethetechniquesarerelativelynew.Oneareaofconcerntosomescientistsistheeffectoflow-levelcontaminants.Anyanalyticalmethodologyhasitsdetectionlimits,andNIRisnodifferentinthisregard,butneitherwouldweexpectittobeanyworse.SincetherelativelybroadcharacterofNIRbandsmakesitunlikelythatacontaminantwouldnotoverlapanyofthemeasuredwavelengths,thequestionwouldonlybeoneofdegree:whetheragivenamountofcontaminantcouldbedetected.Theusermustbeawareoftheprobablecontaminantsheisliabletorunintoandaccountforthepossibilityofthisoccurring,perhapsbyincludingdeliberatelycontaminatedsamplesinthetrainingset.1.1Thispracticecoverstheuseofnear-infrared(NIR)spectroscopyforthequalitativeanalysisofliquidsandsolids.ThepracticeiswrittenundertheassumptionthatmostNIRqualitativeanalyseswillbeperformedwithinstrumentsdesignedspecificallyforthisregionandequippedwithcomputerizeddatahandlingalgorithms.Inprinciple,however,thepracticealsoappliestoworkwithliquidsamplesusinginstrumentsdesignedforoperationovertheultraviolet(UV),visible,andmid-infrared(IR)regionsifsuitabledatahandlingcapabilitiesareavailable.ManyFourierTransformInfrared(FTIR)(normallyconsideredmid-IRinstruments)haveNIRcapability,oratleastextended-rangebeamsplittersthatallowoperationto1.2x03BC;m;thispracticealsoappliestodatafromtheseinstruments.1.2ThevaluesstatedinSIunitsareto......
【中国标准分类号】:A42
【国际标准分类号】:71_040_50
【页数】:8P.;A4
【正文语种】:英语
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