粉末衍射數據分析軟件Match!

         Match!是一個易用的軟件，從粉末衍射數據中鑒定相位，這幾乎是材料科學家每天的工作。Match!作為參考數據庫，我們推薦您應用ICDD PDF-2 or PDF-4 databases.除了這個您還可以以您自己的衍射樣品建立自己的用戶數據庫，這個用戶的樣品數據庫可以通過手動的編輯，通過峰型文件輸入，或者是通過晶體結構數據來計算，也可以加入你同事的數據為你所用，同樣的數據不需要再一次的輸入。

New Match! version 3.6.2(June 18, 2018)

新版重要功能：

• [Windows version only] If a new PDF database has been installed on the PC, Match! will detect this at program startup and ask the user if he would like to index and use it straight away.
• [Windows version only] New menu command "Database/Check for new PDF databases..."
• It is now possible to use FullProf for pattern calculation if only crystal structure data but no raw/profile data are present. At least one entry containing full crystal structure data must be present in the match list.
• New shortcut Ctrl+< (Cmd+< on the Mac) for "Previous zoom"
• New shortcut Alt+K for "Add peak(s)" command/dialog
• Mixed wavelengths Ni Kalpha, Mo Kalpha and Ag Kalpha have been added to the corresponding dropdown boxes.
• New file format "2theta vs. intensity (2 columns)" for "File/Export/Peak data"
• In the pattern graphics, more lines with peak positions and -correlations can now be displayed below the actual diffraction pattern.
• Several bugs have been fixed:
  • A bug causing a crash of the Match! program if a FullProf calculation was not successful (R_Bragg = NaN) has been fixed.
  • A bug affecting the availability of the "Strip alpha2..." command has been fixed.
  • Due to a bug in the indexing code for PDF-4 databases, some entry data (like origin choice, cell volume, color or Pearson code) were not available/used in Match!.
    Note that re-indexation of the PDF-4 reference database is required in order to really fix this problem.
  • Due to a bug, atoms may have been missing in the crystal structure data (parameter list) of PDF database entries. In order to fix this problem, a reindexation of the corresponding PDF database using Match! 3.6.2 (or later) is required.
  • The alpha2-stripping did not work in case of Ag Kalpha radiation.
  • We have fixed a bug that caused problems (and sometimes even a crash of the program) when correcting the wavelength if match list entries were present.
  • Several bugs in the calculation of the integrated profile areas has been resolved.
  • When modifying the peak intensity using the mouse in the pattern graphics, the intensity sometimes seemed to "jump".
  • Peaks could not be marked by clicking on the peak positions in the pattern graphics if the background curve was displayed.
  • Exporting of the candidate or match list to a pdf-file caused an error message "Cannot find HTML information/file to be printed.".
  • A variety of bugs affecting the User Database Manager have been fixed.
  • A large variety of minor bugs has also been fixed.

其他功能：

• 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/I_c 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
• 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, COD and user databases
• Multiple step undo/redo
• User-configurable automatic operation
• 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
• User-configurable reports (HTML, PDF or text file)
• Online update (automatic or manual)

支持的衍射數據格式:

• 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)
• G670 raw data (*.gdf)
• 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)
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系統最低需求

• Windows

  Windows XP, Vista, Windows 7 or Windows 8
  內存不小于1 GB
  空余硬盤空間不小于1.5 GB
  分辨率不小于1024 x 768
  

• Mac OS X

  英特爾處理器、Mac OS X 10.5.8 "Leopard" 系統或以上
  內存不小于1 GB
  空余硬盤空間不小于1.5 GB
  分辨率不小于1024 x 768

• Linux

  32位系統：OpenSUSE, Ubuntu, Fedora
  內存不小于1 GB
  空余硬盤空間不小于1.5 GB
  分辨率不小于1024 x 768