Changeset 4311
- Timestamp:
- Feb 16, 2020 1:28:19 PM (4 years ago)
- File:
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- 1 edited
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trunk/GSASIIobj.py
r4310 r4311 15 15 This module defines and/or documents the data structures used in GSAS-II, as well 16 16 as provides misc. support routines. 17 18 .. math:: 19 20 \\require{mediawiki-texvc} 17 21 18 22 .. _Constraints_table: … … 169 173 interatomic distances (list of floats) 170 174 \ Cell List with 8 items: cell refinement flag (bool) 171 a, b, c, ( Angstrom, float)175 a, b, c, (:math:`\AA`, float) 172 176 alpha, beta & gamma (degrees, float) 173 volume (:math:` A^3`, float)177 volume (:math:`\AA^3`, float) 174 178 \ Color Colors for atoms (list of (r,b,g) triplets) 175 179 \ Compare dict of polygon comparison parameters … … 228 232 \ Plane list Controls for contour density plane display 229 233 \ Quaternion Viewing quaternion (4 element np.array) 230 \ Zclip clipping distance in A(float)234 \ Zclip clipping distance in :math:`\AA` (float) 231 235 \ Zstep Step to de/increase Z-clip (float) 232 236 \ atomPtrs positions of x, type, site sym, ADP flag in Draw Atoms (list) … … 236 240 \ ballScale Size of spheres in ball-and-stick display (float) 237 241 \ bondList dict with bonds 238 \ bondRadius Size of b inds in A(float)239 \ cameraPos Viewing position in Afor plot (float)240 \ contourLevel map contour level in :math:`e/ A^3` (float)242 \ bondRadius Size of bonds in :math:`\AA` (float) 243 \ cameraPos Viewing position in :math:`\AA` for plot (float) 244 \ contourLevel map contour level in :math:`e/\AA^3` (float) 241 245 \ contourMax float map contour maximum 242 246 \ depthFog True if use depthFog on plot - set currently as False (bool) … … 336 340 \ AtInfo Drad, Color: atom drawing radius & color for each atom type (dict) 337 341 \ RBname Name assigned by user to rigid body (str) 338 \ VectMag vector magnitudes in A(list)342 \ VectMag vector magnitudes in :math:`\AA` (list) 339 343 \ rbXYZ Cartesian coordinates for Vector rigid body (list of 3 float) 340 344 \ rbRef 3 assigned reference atom nos. in rigid body for origin … … 655 659 * 'PNC' for constant wavelength neutron 656 660 Bank Data set number in a multidata file (usually 1) 657 Lam Specifies a wavelength in Angstrom661 Lam Specifies a wavelength in :math:`\AA` 658 662 Lam1 Specifies the primary wavelength in 659 Angstrom, used in place of Lam663 :math:`\AA`, used in place of Lam 660 664 when an :math:`\\alpha_1, \\alpha_2` 661 665 source is used. 662 666 Lam2 Specifies the secondary wavelength in 663 Angstrom, used with Lam1667 :math:`\AA`, used with Lam1 664 668 I(L2)/I(L1) Ratio of Lam2 to Lam1, used with Lam1 665 669 Zero Two-theta zero correction in *degrees* … … 735 739 0,1,2 h,k,l (float) 736 740 3 multiplicity 737 4 d-space, Angstrom741 4 d-space, :math:`\AA` 738 742 5 pos, two-theta 739 743 6 sig, Gaussian width … … 786 790 The first and second 787 791 values are floats unless otherwise noted. 788 \ Lam Specifies a wavelength in Angstrom792 \ Lam Specifies a wavelength in :math:`\AA` 789 793 (two floats) 790 794 \ Type Histogram type (two str values): … … 826 830 0,1,2 h,k,l (float) 827 831 3 multiplicity 828 4 d-space, Angstrom832 4 d-space, :math:`\AA` 829 833 5 :math:`F_{obs}^2` 830 834 6 :math:`\sigma(F_{obs}^2)` … … 931 935 \ type (str) One of 'PWDR', 'SASD' or 'REFL' for powder, small angle or reflectometry data, respectively. 932 936 \ tilt (float) The angle the detector normal makes with the incident beam; range -90 to 90. 933 \ wavelength (float) The radiation wavelength ( Angstrom) as entered by the user937 \ wavelength (float) The radiation wavelength (:math:`\AA`) as entered by the user 934 938 (or someday obtained from the image header). 935 939 Masks Arcs (list: lists) Each entry [2-theta,[azimuth[0],azimuth[1]],thickness] describes an arc mask … … 2364 2368 2365 2369 * 'pixelSize': size of each pixel in microns (such as ``[200.,200.]``. 2366 * 'wavelength': wavelength in Angstrom.2370 * 'wavelength': wavelength in :math:`\AA`. 2367 2371 * 'distance': distance of detector from sample in cm. 2368 2372 * 'center': uncalibrated center of beam on detector (such as ``[204.8,204.8]``.
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