Mestrelab Research Mnova 14.0-核磁譜圖分析軟件 estrelabResearchMnova是一款好用的核磁譜圖分析軟件,主要適用於各類化學研究人員使用,軟件的了豐富實用的功能模塊,包括MR、MS和NMRPredictDesktop等,可以滿足用戶對各類數據的處理操作,新版本接入了NMR、MS、分子編輯器,優化了數據庫,同時還增加了新的插件. MestrelabResearchMnova14.0|  TheMestrelabResearchS.L.teamispleasedtoannouncetheavailabilityofMnova14.0.0,isamajorreleaseincorporatingmanynewfeaturesinmostplugins:NMR,MS,NMRPredict,Screen,DB,StructureElucidation,etc.WehaveintegratedanewmoduleforElectronicandVibrationalSpectroscopies(ElViS)andwehavefixedseveralbugs. Top14featuresinMnova14.0: 1.NEWPRODUCT!MnovaElViS–ElectronicandVibrationalSpectroscopies MnovaElViS,ourpluginforElectronicandVibrationalSpectroscopies,hasbeendesignedtoprocessandanalyzevariousformsofopticalspectroscopydata,includingUV/Vis,NIR/MIR,Raman,Fluorescenceandothers. 2.NEWVERSION:MnovaScreenv1.3 ThenewMnovaScreenversionimplementsimprovementssuchasredesignedinterfacesfordatainputandresultseditor,easiertoimport/exportresults,improvedalgorithmsforhitandspecificitydetection,aswellasreadingreferencesfromMnovaDBandBrukerFBS,amongothers.ThisnewversionalsohasadvancedsupportforBruker’sFBS(FragmentBasedScreening). 3.Compliancetools–DigitalSignatures Mnova14includestwobrandnewfeaturestohelpcustomersinregulatedmarkets(i.e.CFR21Part11,GxP):DIgitalsignatures&AuditTrail. 4.Compliancetools–Audittrail AudittrailtracksandreportsanyprocessingoperationcarriedoutonyourMnovadocument.Mestrelabalsoofferscomplianceservicestohelpcustomerscarryouttheirvalidationandishappytobeauditedonbehalfofcustomers. 5.NMRPredict AnewEnsembleNMRPredictionthatusesseveralpredictionalgorithms(e.g.MachineLearning,Increments,HOSE-code,etc)aimedatimprovingboththeaccuracyandprecisionof1Hand13CNMRPredictions. 6.NMRAssignments Sinceversion14,2Dassignmentscanbemadeto2Dmultipletsandselectedmultipletsarehighlightedbyhoveringoverthespectrum.Wehaveimplemented“unified”assignmentswhereachemicalshiftiscalculatedfrommultipletscorrespondingtodifferentexperiments. 7.2DNMRResolutionBooster Anewalgorithmfortheresolutionenhancementof2DNMRspectra. 8.CustomizingNMRdataimport Mnova14comeswithapowerfulnewfeaturetocustomizehowdataisimported,suchasselectingraworprocesseddata. 9.Improvedstackedplots Mnova14allowstostackspectrahorizontally,inadditiontotheverticalstackedplots. 10.MnovaNMR–AdvisedProcessingtool Thistool,typicallyusedinliquidNMRspectraofsmallmolecules,suggeststhemostsensibleprocessingoptionsformost1Dand2DNMRspectra.‘Auto-reference’optionbasedonthesolventpeakisavailabletoo. 11.MnovaNMR–NMReData ExportNMRinformationfollowingthenewNMReDatastandardformat.Exportinformationsuchasassignments,couplingsandspectradescriptiontoazipfilecontaininganSDFfilewithaddedtagsandtherawdata. 12.MnovaNMR–NMRVOIcompression AnewalgorithmfortheefficientVOIcompressionofNMRspectra,whichimprovesperformanceinPrincipalComponentAnalysis(PCA),hasbeenimplementedbasedonthispaper:CompressionofmultidimensionalNMRspectraallowsafasterandmoreaccurateanalysisofcomplexsamples. 13.MnovaMSselectednewfeatures -LabelscanbeaddedtomassspectrumpeaksandannotationobjectshavebeenimprovedinMSplots(manuallyorbyascript). -Relativemassescanbedisplayedaspeaklabels,insteadofabsolutevalues. -Deconvolutethespectra,settingthedesiredabundancethreshold,thechargestaterange,them/zratioanddeconvolutedmassrange. -Predictthemassspectraandfindthepredictedfragmentsonyourownexperimentalspectra,startingfromtheMolecularFormulaandsettingtheexpectedadducts. 14.MnovaDB  MnovaDBcannowhandleElectronicandVibrationalSpectroscopiesdata(MnovaElViS)andsearchbycurve/profilesimilarity.Furthermore,wehaveimplementedanewpeaksearchinterfacethatallowsyoutofilterbypeaktypesandflags. AboutMestrelabResearchMnovaMnovaisthenaturalevolutionofourverypopularapplicationMestReC.However,itismorethananewversionofMestReC.WhilstincludingalltheNMRprocessingandanalysisfunctionalitypresentinMestReC,itisacompletelynewdevelopmentandacompletelynewconceptwhichwillopenupawholenewrangeofpossibilitieswhenstoringandsharingdatawithinorganizations,changingthewayinwhichscientistsprocessandreportNMRandLC/GC/MSdata.MnovahasbeendesignedtomakeNMRandLC/GC/MSbothmoreconvenientandmorepowerful,andtogivetheuserimprovedresultswithminimumeffort. TheprogramprovidesavarietyofconversionfacilitiesformostNMRandLC/GC/MSspectrometerandchromatogramformatsandincludesalltheconventionalprocessing,displaying,andplottingcapabilitiesofanNMRprogram,aswellasmoreadvancedprocessingtechniqueswithaveryuserfriendlygraphicalinterface. ThisisthefirstofasetofvideoswhereMestrelabwillshowyouhowtoprocess,analyseandreportyourNMRspectrausingthenewinterfaceinMnova12.Inthisclipweareshowingyouashortversionofhowtodealwithyour1D1H-NMRdatasets. AboutMestrelabResearchS.L.MestrelabResearchS.L.isaleadingsoftwaredeveloper,basedinSpainandfoundedin2004asaspin-offoftheUniversityofSantiagodeCompostela.Thecompany'smissionistodevelopsoftwaresolutionswhichbecometheuniversalprocessingandanalysisinterfacebetweenanalyticalinstrumentationandchemists. Product:MestrelabResearchMnova Version:14.0.0build23239 SupportedArchitectures:x86 WebsiteHomePage:http://mestrelab.com/ Language:english SystemRequirements:PC SupportedOperatingSystems:Windows7evenornewer