预览加载中，请您耐心等待几秒...

Findit.doc

预览
1/10
2/10
3/10
4/10
5/10
6/10
7/10
8/10
9/10
10/10

在线预览结束，喜欢就下载吧，查找使用更方便

下载提示 文本预览

如果您无法下载资料，请参考说明：

1、部分资料下载需要金币，请确保您的账户上有足够的金币

2、已购买过的文档，再次下载不重复扣费

3、资料包下载后请先用软件解压，在使用对应软件打开

Findit/ICSD Databaseretrievalprogram. Findit/ICSD ThefirstviewofFindit/ICSDlooksapproximatelyasbelow. Choosethesearchicon(theonlyavailableactiveicon)tostartsearchingthedatabase. WhenenteringFindit,onecanspecifysearcheswithdifferentcriteria Chemistry Crystaldata Reducedcell Symmetry Reference HerebelowIhavechosentosearchforcompoundscontainingS,ClandFetogetherwiththecriterionthatthecrystalsystemshouldbetriclinic,monoclinicororthorhombic. Clickingtheyellow“search”buttoninthelowerrightofthewindowstartsthesearch,whichmaytakeaconsiderabletime…Previousversionofsearchsoftwareweremuchfasterbutthisonemaybebetterinotherways… Theresultofthesearchisshownbelow.Intotal11differentcompoundwasfoundmatchingthesearchcriteria. Usetheicon“check/uncheckpage”tocheckallboxesinthelistofhits.Ifyouknowexactlywhatyouwanttokeepandcontinueworkingon,justselectafewofthehits. InprinciplenowyoucanusethevisualisingsoftwaredeliveredbyNIST/ICSDwiththeiconmostfartotherightintheFindit-window.Thisishowevernotrecommendedhere,atleastnotinthebeginningaswewanttostorethehitsinanexternalfileinthecif-format. OfcourseyoushouldexperimentwiththeNIST/Finditvisualiserasithassomefeaturesnotfoundinsomeothervisualiser,forexampletheabilitytosimulatepowderpatternsforeachhit.Butthisisnotpartofthisshortindtroduction. PartofthecifoutputforthegreymarkedhitisshowninthelowerpartofICSD1window.Formoredetailsofthecifformatlookuptheinternationalcrystallographyunionhomepage:HYPERLINK"http://www.iucr.org"www.iucr.orgortheSwedishmirrorsite:HYPERLINK"http://www.se.iucr.org/iucr-top/index.html"http://www.se.iucr.org/iucr-top/index.htmlatSU. Exportallofthecheckedhitstoafileinthecifformat.Notethatyoushouldnotusefile/”savesearchresults”unlessyouwillcontinueworkingwiththefinditsoftware.Cifformatismuchmoregeneralandwewillhaveuseofitinothercircumstances. Selectwheretostorethefile:InthedisplaybelowIhavechosetostoreitatC:\kurser\struktur\ht03\icsd.cif Then