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Methods, Problems and Solutions

Available Software for Powder Diffraction Data Conversion / Interconversion

The CCP14 Homepage is at http://www.ccp14.ac.uk
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Refer Also: [Powder Data Conversion Software] | [Powder Data Visualisation] | [Peak Find/Profiling Software] | [Indexing Software] | [Unit Cell Refinement Software] | [Structure Conversion]

Known Freely Available Software:

Additions/Corrections/Changes Welcome

In general, using a combination of the following programs, you should be able to interconvert from any decent format to another. Use of a spreadsheet such as Excel and/or a good freeware ASCII editor such as PFE (programmers file editor) [PFE Homesite] | [CCP14 PFE Mirror] may be required to trim some headers or manipulate multicolumn data.

There are also pages on

ASCII Text Editors for Windows that can do Column Selection and Manipulation

The freeware ConTEXT Text Editor for Windows as well as the freeware NoteTab light for Windows can also do column editing:
  • ConTEXT Text Editor (toggle Control L for normal and column editing mode) (will also save to UNIX, DOS and Mac ASCII - "Tools, Convert Text to"): http://www.fixedsys.com/context/

  • NoteTab Text Editor (It is accessed in the menu "Modify" -> "Block". You specify Starting column, Block Width, and Block Rows) (thanks to Magnus H. Sorby for providing this information): http://www.notetab.com/

The shareware UltraEdit text editor for Windows will also do column editing: http://www.ultraedit.com/

Henry Barwood Powder Film Digitisation Tutorial
  • ConvX Windows
    • Mark Bowden (m.bowden@irl.cri.nz)
    • As of Jan 2004,
      • Import: Philips VAX RD, ASCII X-Y, Siemens/Bruker/DiffracPlus (RAW), Philips Binary (RD, SD), Sietronics (CPI), GSAS (DAT), DBWS Based (LHPM, RIET7, Fullprof) (DAT), ScanPI (INT)
      • Export: Philips VAX RD, ASCII X-Y, Siemens/Bruker/DiffracPlus (RAW), Philips Binary (RD, SD), Sietronics (CPI), GSAS (DAT), DBWS Based (LHPM, RIET7, Fullprof) (DAT), ScanPI (INT)
    • [UK CCP14 Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]
  • DLConvert Windows Mass Data Converter
    • Originally by Matt Smith; now maintained and extended by Sebastien Gontier (E-mail: s.gontier@dl.ac.uk)
    • Originally created for mass conversion of Daresbury Beamline 16.4 Energy Dispersive data, but now extended to angular dispersive data.
    • Can do linear interpolation if required (conversion of energy dispersive data into an angular dispersive equivalent for either Search-Match/Phase Identification or Le Bail fitting using programs that can only support angular dispersive data)
    • Is optimised to handle the 3 detector system of the Daresbury 16.4 energy Dispersive beamline. When opening a large mass of 16.4 raw data files, will detect the "timer" file and automatically assign detector numbers to files.
    • Can convert Energy Dispersive data to D-spacing and 2-theta equivalent.
    • As of 26th June 1999:
      • Import: Daresbury Laboratory Beamlines: 9.1 angular dispersive, 2.3 angular dispersive, 16.4 Energy Dispersive; Binary MCA Ortec CHN, Argonne Energy Dispersive Data; XT Data
      • Export: XFIT Dat, CPI, GSAS, XY, linear interpolated data.
    • Home site at http://www.ccp14.ac.uk/projects/dl-conv/index.html
  • PowDLL for Windows (dynamic link library and stand alone program)
    • Nikos Kourkoumelis (nkourkou@cc.uoi.gr)
    • As of 12th June 2004
      • Import: Bruker/Siemens RAW Files (versions 1-3), Philips RD Files, Scintag ARD Files, powderCIF Files, Sietronics CPI Files, Riet7 DAT Files, DBWS Files, GSAS Files (CW STD), Jade MDI Files, Rigaku RIG Files, Philips UDF Files, UXD Files, XDA Files, XDD Files, ASCII XY Files.
      • Export: Bruker/Siemens RAW Files (versions 1-3), Philips RD Files, Scintag ARD Files, Sietronics CPI Files, Riet7 DAT Files, DBWS Files, GSAS Files (CW STD), Jade MDI Files, Rigaku RIG Files, Philips UDF Files, UXD Files, XDA Files, XDD Files, ASCII XY Files.
    • Original at http://users.uoi.gr/nkourkou/
    • [CCP14 UK Web Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]
  • PowderX for Windows
    • Cheng Dong (chengdon@aphy.iphy.ac.cn)
    • As of 17th June 1999,
      • Import: Mac Science ASCII, BD90 (Raw), X-Y, Rigaku (DAT), Sietronics (CPI), TsingHua Rigaku (USR) Siemens/Bruker ASCII (UXD), Siemens/Bruker Binary (RAW), Philips ASCII (UDF), Philips Binary (RD) Mac Science Binary, RIET7 (DAT), ORTEC Maestro (CHN)
      • Export: ALLHKL (POW), Sietronics (CPI), FOURYA/XFIT/Koalariet (XDD), Fullprof (DAT), GSAS (DAT), Rietan (INT), Simpro (DUI), X-Y (XRD), DBWS (DAT), LHPM (DAT)
    • Zip files can be downloaded off the web and password for extracting the ZIP files obained by E-mailing the author: Cheng Dong (chengdon@aphy.iphy.ac.cn)
    • Tutorial on download and its use: [Original at CCP14 UK Mirror]
    • [CCP14 UK Web Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]
  • Specon for Windows (more a spectrometry program but handles many MCA binary formats including ORTEC)
    • Wan Hong (whong@rock25t.kigam.re.kr)
    • As of 12th June 2001,
      • Import: RUMP (rbs), EG&G Maestro II (chn), EG&G GammaVision (spc), New Oxford (spt), Old oxford (spm), Ascii 1, Ascii 2, Canberra (spc), Quantum X (ans), SENRAS (sen), Nucleus (ncl), Hypra (snf), KODAQ (Kaku-ken On-line Data Acquisition System) (spc)
      • Export: RUMP (rbs), EG&G Maestro II (chn), EG&G GammaVision (spc), New Oxford (spt), Old oxford (spm), Ascii 1, Ascii 2, Canberra (spc), Quantum X (ans), SENRAS (sen), Nucleus (ncl), Hypra (snf), KODAQ (Kaku-ken On-line Data Acquisition System) (spc)
    • Original at http://www.hongserver.com/Specon/Specon.html
    • [CCP14 UK Web Mirror] | [Canadian CCP14 Mirror] | [US CCP14 Mirror] | [Australian CCP14 Mirror]
  • Winfit for Windows
Refer Also: [Powder Data Conversion Software] | [Powder Data Visualisation] | [Peak Find/Profiling Software] | [Indexing Software] | [Unit Cell Refinement Software] | [Structure Conversion]
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