Changes between Version 4 and Version 5 of WikiStart


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Timestamp:
Sep 6, 2012 3:39:02 PM (8 years ago)
Author:
toby
Comment:

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  • WikiStart

    v4 v5  
    11= pyFPRIME and ABSORB =
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    3 This project contains two python GUI programs used for computing approximate x-ray scattering cross sections (f, f' and f") for individual elements using the Cromer & Liberman algorithm [http://dx.doi.org/10.1107/S0567739481000600 (reference: Acta Cryst. 1981 v.A37, p.267)]. FPRIME computes and plots elemental scattering factors. ABSORB computes scattering and absorption for a given composition and makes an attempt to estimate density as well. ABSORB can be also accessed as a [http://11bm.xor.aps.anl.gov/absorb/absorb.php web utility] (see http://11bm.xor.aps.anl.gov/absorb/absorb.php).
     3This project contains two python GUI programs used for computing approximate x-ray scattering cross sections (f, f' and f") for individual elements using the Cromer & Liberman algorithm [http://dx.doi.org/10.1107/S0567739481000600 (reference: Acta Cryst. 1981 v.A37, p.267)]. FPRIME computes and plots elemental scattering factors. ABSORB computes scattering and absorption for a given composition and makes an attempt to estimate density as well. ABSORB can be also accessed as a [http://11bm.xray.aps.anl.gov/absorb/absorb.php web utility] (see http://11bm.xray.aps.anl.gov/absorb/absorb.php).
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    55Note that these computations are performed for elements between Li - Cf and in the X-ray wavelength range 0.05 - 3.0Å (4.13-248 keV) using the Cromer & Liberman algorithm and orbital cross-section tables. Note that the Cromer - Liberman algorithm fails in computing f' for wavelengths < 0.16 Å (> 77.48 keV) for the heaviest elements (Au-Cf) and fails to correctly compute f', f" and mu for wavelengths > 2.67 Å (< 4.64 keV) for very heavy elements (Am-Cf).
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    7 To obtain a copy of the files see the [https://subversion.xor.aps.anl.gov/trac/pyFprime/browser/trunk/ trunk directory in Trac] or use subversion to download from https://subversion.xor.aps.anl.gov/pyFprime/trunk/. This software runs in Windows, Linux and Mac OS X, provided a working python interpreter with !WxPython and Matplotlib is installed. We have used the Enthought Python Distribution.
     7To obtain a copy of the files see the [https://subversion.xray.aps.anl.gov/trac/pyFprime/browser/trunk/ trunk directory in Trac] or use subversion to download from https://subversion.xray.aps.anl.gov/pyFprime/trunk/. This software runs in Windows, Linux and Mac OS X, provided a working python interpreter with !WxPython and Matplotlib is installed. We have used the Enthought Python Distribution.
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    99Contact: [mailto:vondreele@anl.gov Robert B. Von Dreele]