Match! using ICSD/Retrieve and free-of-charge reference data

Since version 1.7, Match! is not only able to use any ICDD PDF database ... permission to download and distribute their data free-of-charge!   SoftwareforScientists Register   Contact       Search Aboutus Diamond Endeavour Match! Pearson's CD   AboutMatch! Functionlist... Brochure... References... GetMatch! OrderNow Download EvaluateMatch!withatime-limiteddemoversionfree-of-charge. ReferencePatterns DownloadreferencepatternscalculatedfromtheCODfree-of-charge. Support Videos Updates Previousversions Onlinehelp Manual Tips&Tricks Knownbugs FrequentlyAskedQuestions Version2Support Download Updates Videos Tips&Tricks Knownbugs FrequentlyAskedQuestions Version1Support Download Updates Tips&Tricks Knownbugs FrequentlyAskedQuestions Match!usingICSD/Retrieveandfree-of-chargereferencedata SinceMatch!version1.8,thesoftwarecanusetheICSD/Retrievedatabase (release1993-2002)assourceofreferencediffractionpatterns,ifyouhave avalidlicenceforthisdatabase. AllentriesimportedfromICSD/Retrievecontainatomiccoordinates, basedonwhichthecorrespondingpowder diffractionpatternsarecalculatedautomaticallyduringtheimportprocess. Besidesthis,forallentriesI/Ic-valuesarecalculated,sothata semi-quantitativeanalysiscanbeperformed. BycombiningareferencedatabaseimportedfromICSD/Retrieve(whichtypically contains"older"entries)withthefree-of-chargeCODreferencedatabase (whichbasicallycontains morerecententries,seebelow),youwillgetarealalternativetothePDF databaseatlowprice! Sinceversion1.7,Match!isnotonlyabletouseanyICDDPDFdatabaseproduct (aswithallpreviousversions),butalsotousefree-of-chargereference patternscalculatedfromcrystalstructuredatathatareavailablefree-of-charge intheCOD("CrystallographyOpenDatabase"). Inthiscontext,wewouldliketothankPeteStrickland(IUCr),ArmelLeBail(COD) andBobDowns(AMCSD)fortheirkindpermissiontodownloadanddistributetheir datafree-of-charge! TheCODreferencedatabase(whichalsocontainsentriesfrom IUCrjournalsandthe AMCSD("AmericanMineralogistCrystalStructureDatabase")) currentlyprovidesmorethan94,000entries. Allentriescontainatomiccoordinates,basedonwhichthecorrespondingpowder diffractionpatternshavebeencalculated.Besidesthis,forallentries,I/Ic-values havebeencalculated,sothatasemi-quantitativeanalysiscanbeperformed. Updatesofthefree-of-chargereferencedatabaseswillbecomeavailablefordownloadfromtime totime. AlongwiththeoptionalusageofCODreferencedata,thegeneralhandling ofreferencedatabaseshasbeensignificantlyimproved:Youcanswitchbetweendifferentreferencedatabases(e.g.PDF-4+andPDF-4Organics orPDF-2andCOD)whileyoursamplediffractionpatternisstillinmemory,so youcaneasilycompareresultingentries/phasesbasedononeortheother referencedatabase.Ofcourse,whenswitching,thereisnoneedforatime-consuming re-indexationofthereferencedatabases! Pleaseclickheretogototheupdatepage,anddownloadtheupdatetolatestversionofMatch! Notethattheupdate(oronlineupdate)doesnotinstallanyreferencedatabase!Ifyouwouldliketoinstall oneofthefree-of-chargereferencepatterndatabases,youhavetodownloadandinstall themseparatelyafteryouhaveinstalledtheupdatetothenewMatch!version! Wehaverunseveraltestsinordertoevaluatethequalityofthevariousreferencedatabasesmentionedabove: ComparedtousingtheclassicalICDDPDFdatabase,ourtestsrevealasomewhatdiverseperformacewhenusing thefree-of-chargeCODreferencepatterns:Whenmineralsampleswereinvestigated,theresultswere generallyverygood,thankstotheexcellentcoverageoftheAMCSDsubsectionoftheCOD.Evenformanysamplesotherthanminerals, thecorrectphaseswereidentifiedinmostcases,however,wefoundsome(few)sampleswheremainphaseswerenot recognizedbecausethecorrespondingreferencepatternswerenotpresentintheCODreferencedatabase. Inallcases,itwasnoproblemtoidentifyallphaseswhenusingtheICDDPDF-2Release2007database. Accordingtoourexperience,itisoptimaltocombinetheCODdatabase(whichbasicallycontains morerecententries)withauserdatabasecreatedfromICSD/Retrieve(whichtypicallycontains"older"entries). UsingsuchacombinedreferencedatabaseisthebestsolutionifyoudonothavearecentICDDPDFdatabaseavailable!