粉末衍射数据阶段识别软件

Crystal.Impact.Match.v1.10是一款易用的粉末衍射数据阶段识别软件。通过把样本的粉末衍射形态与数据库中的参考形态进行比较，来确定样本所在阶段。通过提升ICSD(无机晶体结构数据库)的检索效率，提高参考模式数据库的价值。

Match!
Phase Identification from Powder Diffraction

Match! is an easy-to-use software for phase identification from powder diffraction data, which has become a daily task in material scientists work. Match! compares the powder diffraction pattern of your sample to a database containing reference patterns in order to identify the phases which are present. Single as well as multiple phases can be identified based on both peak data and raw (profile) data.
As reference database, you can apply the included free-of-charge COD database and/or ICSD/Retrieve (if you have a valid licence), use any ICDD PDF product, and/or create a user database based on your own diffraction patterns. The user database patterns can be edited manually, imported from peak files, calculated from crystal structure data (e.g. CIF files), or imported from your colleague’s user database.
A list of Match!’s most prominent features can be found here.

Match! Function List
Fast single and multiple phase identification from powder diffraction data
Use free-of-charge reference patterns calculated from the COD (incl. I/Ic), any ICDD PDF database, any ICSD/Retrieve version (released 1993-2002; valid licence required) and/or your own diffraction data (or patterns calculated from crystal structure data (e.g. CIF files)) in phase identification
Flexible handling of reference databases (incl. user databases); you can easily switch between different reference databases without the necessity to perform a new database indexation
Create reference databases for X-ray and neutron diffraction e.g. from cif-files
Comfortable user database manager for easy maintenance of user data (add/import/edit/delete/sort entries)
Powerful CIF- and ICSD/Retrieve import, incl. calculation of powder pattern, I/Ic and density
Atomic coordinates available e.g. in the ICSD, the ICDD PDF-4+ or free-of-charge reference data are displayed in the data sheets and included in the CIF- or Textfile-exports (e.g. for Rietveld analysis)
Displaying of Miller indices (hkl) in diffraction patterns and entry data sheets
View crystal structures in Diamond with just a few clicks
Fully integrated handling of your own diffraction data with PDF data (search-match, retrieval, data viewing)
Automatic residual searching with respect to identified phases
Automatic raw data processing: α2-stripping, background subtraction, peak search, profile fitting, error correction
Automatic optimization of peak searching sensitivity
Fitting of all (or selected) peak parameters to exp. profile data
Comfortable manual editing of peaks (add/shift/delete/fit) using mouse or keyboard
Semi-quantitative analysis (Reference Intensity Ratio method)
Straight-forward usage of additional knowledge (composition, PDF subfiles, crystallographic data, color, density etc.)
Integrated database retrieval system and viewer for PDF and user datasheets
Multiple step undo/redo
Support for new PDF entry numbers (9 digits)
User-configurable automatic operation
Full parameter control with instant rearrangement of the results list
Automatic d-value shifting during search-match process (optionally)
Intensity contribution to figure-of-merit can be reduced for preferred-orientation cases
Comfortable graphical and tabular comparison of peak data and candidate patterns
Mouse-controlled pattern graphics zooming and tracking
User-configurable HTML-reports
Online update (automatic or manual)
Supported diffraction data file formats (automatic detection):
ASCII profile (start, step, intensities or 2 columns)
Bruker/Siemens raw data (old and new) (*.raw)
Bruker/Siemens DIFFRAC AT peak data (*.dif)
DBWS (*.rfl, *.dat)
ENDEAVOUR peak list (2 columns: 2theta/d intensity; *.dif)
Inel raw data (*.dat)
Ital Structures raw data (*.esg)
Jade/MDI/SCINTAG raw data (*.mdi)
JEOL ASCII Export raw data (*.txt)
PANalytical XRDML Scan raw data (*.xrdml)
PANalytical/Philips peak data (*.udi)
PANalytical/Philips raw data (*.rd, *.udf)
Rigaku raw data (*.raw)
SCINTAG raw data (*.raw, *.rd)
Shimadzu raw data (*.raw)
Siemens (*.uxd)
Sietronics XRD scan data (*.cpi)
Stoe raw data (*.raw)
Stoe peak data (*.pks)

Please contact Crystal Impact if the file format you are using is not yet supported!

System requirements
Personal Computer with Microsoft Windows 98, ME, NT 4.0, 2000, XP, Vista or Windows 7 operating system
Microsoft Internet Explorer 5.01 or higher
128 megabytes of RAM (256 megabytes recommended)
Hard disk with minimum 600 MB of free disk space
Graphics resolution of 1024 x 768 pixels with 32,768 colors ("High Color")
DVD drive

代码

下载链接来自sharevirus
未经过安装测试与安全检测，使用者后果自负与本论坛无关
软体版权归原作者及其公司所有，如果你喜欢，请购买正版

本文链接: https://www.books51.com/304611.html

上一篇: 电路设计软件

下一篇: 船舶制造业设计软件

(0 次顶, 0 人已投票)
你必须注册后才能投票！

Loading...