Changeset 4313 for trunk/GSASIIobj.py
- Timestamp:
- Feb 16, 2020 2:14:30 PM (3 years ago)
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trunk/GSASIIobj.py
r4312 r4313 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}21 17 22 18 .. _Constraints_table: … … 173 169 interatomic distances (list of floats) 174 170 \ Cell List with 8 items: cell refinement flag (bool) 175 a, b, c, ( :math:`\\AA`, float)171 a, b, c, (Angstrom, float) 176 172 alpha, beta & gamma (degrees, float) 177 volume (:math:` \\AA^3`, float)173 volume (:math:`A^3`, float) 178 174 \ Color Colors for atoms (list of (r,b,g) triplets) 179 175 \ Compare dict of polygon comparison parameters … … 232 228 \ Plane list Controls for contour density plane display 233 229 \ Quaternion Viewing quaternion (4 element np.array) 234 \ Zclip clipping distance in :math:`\\AA`(float)230 \ Zclip clipping distance in Angstrom (float) 235 231 \ Zstep Step to de/increase Z-clip (float) 236 232 \ atomPtrs positions of x, type, site sym, ADP flag in Draw Atoms (list) … … 240 236 \ ballScale Size of spheres in ball-and-stick display (float) 241 237 \ bondList dict with bonds 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)238 \ bondRadius Size of bonds in Angstrom (float) 239 \ cameraPos Viewing position in Angstrom for plot (float) 240 \ contourLevel map contour level in :math:`e/A^3` (float) 245 241 \ contourMax float map contour maximum 246 242 \ depthFog True if use depthFog on plot - set currently as False (bool) … … 340 336 \ AtInfo Drad, Color: atom drawing radius & color for each atom type (dict) 341 337 \ RBname Name assigned by user to rigid body (str) 342 \ VectMag vector magnitudes in :math:`\\AA`(list)338 \ VectMag vector magnitudes in Angstrom (list) 343 339 \ rbXYZ Cartesian coordinates for Vector rigid body (list of 3 float) 344 340 \ rbRef 3 assigned reference atom nos. in rigid body for origin … … 659 655 * 'PNC' for constant wavelength neutron 660 656 Bank Data set number in a multidata file (usually 1) 661 Lam Specifies a wavelength in :math:`\\AA`657 Lam Specifies a wavelength in Angstrom 662 658 Lam1 Specifies the primary wavelength in 663 :math:`\\AA`, used in place of Lam659 Angstrom, used in place of Lam 664 660 when an :math:`\\alpha_1, \\alpha_2` 665 661 source is used. 666 662 Lam2 Specifies the secondary wavelength in 667 :math:`\\AA`, used with Lam1663 Angstrom, used with Lam1 668 664 I(L2)/I(L1) Ratio of Lam2 to Lam1, used with Lam1 669 665 Zero Two-theta zero correction in *degrees* … … 739 735 0,1,2 h,k,l (float) 740 736 3 multiplicity 741 4 d-space, :math:`\\AA`737 4 d-space, Angstrom 742 738 5 pos, two-theta 743 739 6 sig, Gaussian width … … 790 786 The first and second 791 787 values are floats unless otherwise noted. 792 \ Lam Specifies a wavelength in :math:`\\AA`788 \ Lam Specifies a wavelength in Angstrom 793 789 (two floats) 794 790 \ Type Histogram type (two str values): … … 830 826 0,1,2 h,k,l (float) 831 827 3 multiplicity 832 4 d-space, :math:`\\AA`828 4 d-space, Angstrom 833 829 5 :math:`F_{obs}^2` 834 830 6 :math:`\sigma(F_{obs}^2)` … … 935 931 \ type (str) One of 'PWDR', 'SASD' or 'REFL' for powder, small angle or reflectometry data, respectively. 936 932 \ tilt (float) The angle the detector normal makes with the incident beam; range -90 to 90. 937 \ wavelength (float) The radiation wavelength ( :math:`\\AA`) as entered by the user933 \ wavelength (float) The radiation wavelength (Angstrom) as entered by the user 938 934 (or someday obtained from the image header). 939 935 Masks Arcs (list: lists) Each entry [2-theta,[azimuth[0],azimuth[1]],thickness] describes an arc mask … … 2368 2364 2369 2365 * 'pixelSize': size of each pixel in microns (such as ``[200.,200.]``. 2370 * 'wavelength': wavelength in :math:`\\AA`.2366 * 'wavelength': wavelength in Angstrom. 2371 2367 * 'distance': distance of detector from sample in cm. 2372 2368 * 'center': uncalibrated center of beam on detector (such as ``[204.8,204.8]``.
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