Profex | Open Source XRD and Rietveld Refinement

January 29, 2022: We proudly present Profex 5.0, the next major release of our free and open-source Rietveld refinement software. As one of the new features ... Menü SpringezumInhalt Profex5.0released January29,2022:WeproudlypresentProfex5.0,thenextmajorreleaseofourfreeandopen-sourceRietveldrefinementsoftware.Asoneofthenewfeaturescomingwiththisversion,ProfexnowrunsnativelyontheAppleSiliconplatform.ManymoreoptimizationsimprovetheusabilityandmakeProfexfitforthelatestgenerationofoperatingsystems.CheckouttheWhat’snewpageforalistofchanges,andgetyourcopyofProfexfromtheDownloadpagenow. December17,2021–ProfexandBGMNarenotaffectedbytheApachelog4jvulnerability: ProfexandBGMNarenotbasedonJavatechnologyandnoneoftheprogramsdistributedwithProfexusethevulnerableApachelog4jlibrary(CVE-2021-44228).TheQtCompanyconfirmedthattheQtframeworkextensivelyusedbyProfexisnotaffectedbythevulnerabilityeither.ThereforenoactionisrequiredbyusersofProfexandBGMNduetothelog4jvulnerability. July11,2021:Ourcollectionofvideotutorialsisconstantlygrowing.VisitourchannelProfexTutorialsonYouTubeoronOdysee. WhatisProfex? ProfexisagraphicaluserinterfaceforRietveldrefinementofpowderX-raydiffraction(XRD)datawiththeprogramBGMN.Itcanbeusedforphaseidentification,phasequantification,structurerefinement,andexportofresultsandgraphstotablesandfigures.  Mainwindow Displayhkllinepositionsfromtheinternalreferencestructuredatabase Powerfultexteditorssupportsyntaxhighlightingandvariousconveniencefeatures Acontexthelpprovidesdescriptionsofallrefinementparameters Aftertherefinement,resultsaresummarized(bottomright) Showtherefinedchemicalcomposition(bottomright) Apowerfulsearch-matchmoduleforphaseidentification CIF/XMLimporteditortoconvertCIForICDDXMLstructurefilestothenativeSTRformat Computeelectrondensitymaps(Fobs,Fcalc,ordifferencefouriermaps) Graphicalinstrumenteditortoeditthefundamentalparameters Genericnon-linearcurvefittingmodule Variousoptionsandoutputformatstocreatepublication-qualitygraphs Keyfeatures Supportforavarietyofrawdataformats,includingallmajorinstrumentmanufacturers(Bruker/Siemens,PANalytical/Philips,Rigaku,Seifert/GE,andgenerictextformats) Exportofdiffractionpatternstovarioustextformats(ASCII,Gnuplotscripts,Fitykscripts),pixelgraphics(PNG),andvectorgraphics(SVG) Batchconversionofrawdatascans Automaticcontrolfilecreationandoutputfilenamemanagement ConversionofCIFandICDDPDF-4+XMLstructurefilestoBGMNstructurefiles ExportofrefinedcrystalstructurestoCIFandCastepCELLformat Internaldatabaseforcrystalstructurefiles,instrumentconfigurationfiles,andpredefinedrefinementpresets Computationofchemicalcompositionfromrefinedcrystalstructures Batchrefinement Exportofrefinementresultstospreadsheetfiles(CSVformat) ContexthelpforBGMNvariables Syntaxhighlighting Enhancedtexteditorsforstructureandcontrolfilemanagementandediting GenericsupportforFullProf.2kasanalternativeRietveldbackendtoBGMN Andmanymore… ProfexrunsonWindows,Linux,andMacOSXoperatingsystemsandisavailableasfreesoftwarelicensedundertheGNUGeneralPublicLicense(GPL)version2oranylaterversion. Videotutorials August12,2020.CheckoutourbrandnewYouTubechannelProfexTutorials.Wewillperiodicallypublishnewtutorialsforselectedtopics.ThefirstepisodeexplainsinstallationandsetupofProfexonthreedifferentplatforms: https://www.youtube.com/embed/vaWBjTNWG7U Reference ProfexandBGMNarefreetouseandshare,butusersarekindlyaskedtocitethefollowingopenaccesspublicationifresultsgeneratedwithProfexarepublishedinanyform: Döbelin,N.,Kleeberg,R.,„Profex:agraphicaluserinterfacefortheRietveldrefinementprogramBGMN„,JournalofAppliedCrystallography48(2015),1573-1580. DOI:doi:10.1107/S1600576715014685 Suchenach: CurrentversionProfex5.0.1 ReleasedMarch13,2022MakeadonationIfyoulikeProfex,pleaseconsidermakingadonation.Yourfinancialsupporthelpsmecovermyexpenses,forexampleforhostingthiswebsite. PleaseusethePayPalbuttonbeloworthebankaccountgivenontheContactpage. ThankyouNicolaDöbelin