Software Crystal Impact Match!

  • Modelo:

    Match!

  • Disponibilidade:

    InStock

  • Nós da Tennessine,
    teremos o prazer de lhe atender.

    Match! is an easy-to-use software for phase identification from powder diffraction data. It compares the diffraction pattern of your sample to a database containing reference patterns in order to identify the phases which are present. Additional knowledge about the sample like known phases, elements or density can be applied easily.




    In addition to this qualitative analysis, a quantitative analysis (using Rietveld refinement) can be performed as well. You can easily setup and run Rietveld refinements from within Match!, with the actual calculations being performed automatically, using the well-known program FullProf (by J. Rodriguez-Carvajal) in the background. Match! provides a gentle introduction into Rietveld refinement, from fully automatic operation to the "Expert" mode. The software runs natively on Windows, macOS and Linux.


    As reference database, you can apply the included free-of-charge COD database, 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.


    Most prominent functions and features:

    Rietveld refinement (using FullProf)
    Match! provides a gentle introduction into Rietveld refinement, from fully automatic operation to the "Expert" mode. With just two mouse clicks, you can easily transfer your data (diffraction pattern and crystal structures) to the FullProf software and run a Rietveld refinement.


    Indexing (unit cell determination; (using Treor or Dicvol)
    Indexing is a mandatory step in crystal structure solution from powder diffraction data, e.g. using our software package “Endeavour”. Knowing the unit cell can also be very useful in phase identification, considering that cell parameters can be used as restraints. Quite a lot of indexing programs are available today; Match! can use two of the most prominent: Treor90 and Dicvol06.


    Structure solution from powder (using Endeavour)
    Indexing is a mandatory step in crystal structure solution from powder diffraction data, e.g. using our software package “Endeavour”. Knowing the unit cell can also be very useful in phase identification, considering that cell parameters can be used as restraints. Quite a lot of indexing programs are available today; Match! can use two of the most prominent: Treor90 and Dicvol06.


    Runs on Mac, Linux and of course Windows
    No matter which one of these operating systems you prefer, Match! will run on it. Of course, you can use document files created with Match! on one platform on any other platform as well.


    Display and compare multiple diffraction patterns
    Additional experimental patterns can now be imported and displayed on top of each other, so that you can compare them to the main experimental pattern.


    Directly view specific phases/entries
    You already know that a certain phase is present in the sample, or you would like to check how some compound compares to the experimental diffraction pattern? That's pretty easy with the new version!


    Instant usage of additional information
    Additional information about the sample like elements that may be or must not be present, the density etc. can now be applied much easier than in the previous version.


    Saving of selection criteria
    Once you have entered a set of selection criteria (e.g. elements, density etc.) that best suits your requirements, you can save it using an appropriate name, and recall it later on with just two mouse clicks.


    Comfortable definition of background
    Simply insert, shift or delete control points in the automatically calculated background curve using the mouse, in order to precisely define the background with regard to the raw data.


    Improved zooming facilities
    Zoom now also implies zooming on the intensity (and not only on 2theta) axis. In addition, you can now simply use the mouse pointer and wheel to zoom into the area of interest. Of course, it is also possible to zoom to an exactly defined area (2theta/intensity).


    Batch Processing and Automatics
    You are a beginner or an expert user? As you like it: Simply adjust your skill level, in order to either give you full control at each single step, let Match! run the complete phase identification automatically, or anything in between.


    Crystallite size estimation
    Once you have achieved a good fit of the peak data to the experimental profile, you can let Match! calculate crystallite size values based on the peak's FWHM values, using the Scherrer formula.


    Manual Entries
    While match list entries (i.e. entries/phases that have been decided on as being present in the sample) normally correspond to entries in the current reference database, it is also possible to add so-called "manual entries" (or phases) directly from scratch, e.g. by importing crystal structure data or entering them manually. It is even possible to enter only partial crystal structure data sets (e.g. containing only unit cell parameters but no space group or atomic coordinates).


    Fast single and multiple phase identification from powder diffraction data


    Qualitative as well as quantitative analysis (RIR, Toraya, Rietveld, DOC, internal standard)


    Runs on Windows, macOS and Linux

    Use free-of-charge reference patterns calculated from the COD (incl. I/Ic), any ICDD PDF database, any old 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


    Perform Rietveld refinement calculations, e.g. for quantitative analysis, using the well-known FullProf in the background


    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


    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


    α2-stripping is not required for peak searching, search-match, phase identification etc.


    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)


    Viewing of crystal structures in Diamond (Windows version of Match! only)


    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)

    DRON-3 (still experimental)

    ENDEAVOUR peak list (2 columns: 2theta/d intensity; *.dif)

    G670 raw data (*.gdf)

    GNR raw data (formerly Ital Structures) (*.esg)

    Inel raw data (*.dat)

    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 (both binary as well as text files containing '*'-keywords)

    SCINTAG raw data (*.raw, *.rd)

    Seifert

    Shimadzu raw data (*.raw)

    Siemens (*.uxd)

    Sietronics XRD scan data (*.cpi)

    Stoe raw data (*.raw)

    Stoe peak data (*.pks)

    TXRD export text files (*.txt)

    XPowder raw data (*.plv)

    XRDML raw data (*.xrdml)

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




    System requirements (minimum)


    Windows
    - Personal Computer with Microsoft Windows XP, Vista, Windows 7, Windows 8 or Windows 10 operating system (32- or 64-bit)
    - 2.5 GB of RAM
    - Hard disk with minimum 500 MB of free disk space
    - Graphics resolution of at least 1024 x 768 pixels (1280 x 800 pixels or more recommended)
    - FullProf release January 2018 (or later) required for Rietveld refinement


    macOS
    - Mac with Intel processor and macOS 10.12 "Sierra" operating system (or later)
    - 2.5 GB of RAM
    - Hard disk with minimum 500 MB of free disk space
    - Graphics resolution of at least 1024 x 768 pixels (1280 x 800 pixels or more recommended)
    - FullProf release March 2018 (or later) required for Rietveld refinement


    Linux
    - Personal Computer with Linux (Intel 64-bit), e.g. Ubuntu
    - 2.5 GB of RAM
    - Hard disk with minimum 500 MB of free disk space
    - Graphics resolution of at least 1024 x 768 pixels (1280 x 800 pixels or more recommended)
    - FullProf release February 2018 (or later) required for Rietveld refinement



    Voltar ao inicio