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Trace: • sequential_refinements • cif_to_inp_format • tls_refinement • get_coordinates • adps_with_symmetry_constraints • molecular_scattering_power_msp_-_qpa_method_requiring_no_crystal_structure • del_parameter • list_command • known_errors_and_workarounds • string_equations
macros

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macros [2024/02/22 19:54] – dectorsmacros [2025/09/19 15:18] (current) – external edit 127.0.0.1
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 | [[Anisotropic_crystallite_size]]      |Anisotropic broadening correction for triaxial-ellipsoids/elliptic-cylinders/cuboids         |Dominique Ectors                | | [[Anisotropic_crystallite_size]]      |Anisotropic broadening correction for triaxial-ellipsoids/elliptic-cylinders/cuboids         |Dominique Ectors                |
 | [[Atomic_Number]]      |Returns the atomic number of an atomic symbol and calculate total electron number in unit cell           |Tony Wang                | | [[Atomic_Number]]      |Returns the atomic number of an atomic symbol and calculate total electron number in unit cell           |Tony Wang                |
 +| [[Atomic_Weight|Atomic_Weight]]      |Returns the atomic weight of an atomic symbol and calculate Cell_Z: number of molecules in unit cell           |Tony Wang                |
 | [[bkg_file]]        | User-supplied background from a file      | Phil Chater | | [[bkg_file]]        | User-supplied background from a file      | Phil Chater |
 | [[Bkg_GSAS_f2]]        | Cosine fourier series background function (GSAS#2)      | Pamela Whitfield | | [[Bkg_GSAS_f2]]        | Cosine fourier series background function (GSAS#2)      | Pamela Whitfield |
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 | [[Inel_Flat_Plate_V2]] |Fixed sample angle I & disp. correct'n V2       | Ian Madsen       | | [[Inel_Flat_Plate_V2]] |Fixed sample angle I & disp. correct'n V2       | Ian Madsen       |
 | [[Insert_Peak]]        | Add a peak to a Rietveld fit                   | John Evans       | | [[Insert_Peak]]        | Add a peak to a Rietveld fit                   | John Evans       |
 +| [[Insert_Peak_hkl]]        | Add a peak to pattern at 2-theta fixed by hkl                   | John Evans       |
 | [[Integral breadth]]        | Find the integral breadth of some various peak shapes                   | Matthew Rowles      | | [[Integral breadth]]        | Find the integral breadth of some various peak shapes                   | Matthew Rowles      |
 | [[K-Factor]]      |K-Factor Quantification         |Martin Fisch               | | [[K-Factor]]      |K-Factor Quantification         |Martin Fisch               |
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 | [[https://github.com/pachater/topas/blob/master/pdf.inc|PDF macros]] | A collection of macros for use with [[pdf_fitting|PDF data in TOPASv6]] | Phil Chater | | [[https://github.com/pachater/topas/blob/master/pdf.inc|PDF macros]] | A collection of macros for use with [[pdf_fitting|PDF data in TOPASv6]] | Phil Chater |
 | [[peak_shapes]]        | Various peak shapes for various means                   | Matthew Rowles | | [[peak_shapes]]        | Various peak shapes for various means                   | Matthew Rowles |
 +| [[pkshape_DC1]]        | Peak shape for area detector diffractometer             | Dimitry Chernyshove and John Evans |
 | [[Preferred_Orientation]] | Generalised March-Dollase PO corrections  | Matthew Rowles |  | [[Preferred_Orientation]] | Generalised March-Dollase PO corrections  | Matthew Rowles | 
 | [[Refine_Weight_Percentage]] | Set or refine weight percentages directly | Matthew Rowles |  | [[Refine_Weight_Percentage]] | Set or refine weight percentages directly | Matthew Rowles | 
macros.1708631644.txt.gz · Last modified: 2025/09/19 15:11 (external edit)