- Timestamp:
- Nov 2, 2020 10:25:36 AM (2 years ago)
- Location:
- trunk
- Files:
-
- 2 edited
-
GSASIIlattice.py (modified) (2 diffs)
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GSASIIscriptable.py (modified) (3 diffs)
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trunk/GSASIIlattice.py
r4582 r4636 22 22 *d* is the d-spacing, and :math:`d^*` is the reciprocal lattice spacing, 23 23 :math:`Q = 2 \\pi d^* = 2 \\pi / d`. 24 Note that GSAS-II variables ``p::Ai`` ( ``i``=0,1,...5) and ``p`` is a phase number are24 Note that GSAS-II variables ``p::Ai`` (i = 0, 1,... 5) and ``p`` is a phase number are 25 25 used for the *Ai* values. See :func:`A2cell`, :func:`cell2A` for interconversion between A and 26 26 unit cell parameters; :func:`cell2Gmat` :func:`Gmat2cell` for G and cell parameters. … … 29 29 *A* tensor terms (Ai, :math:`A_{i}`) so that A is redefined 30 30 :math:`A = (\\begin{matrix} A_{0} + D_{11} & A_{1} + D_{22} & A_{2} + D_{33} & A_{3} + 2D_{12} & A_{4} + 2D_{13} & A_{5} + 2D_{23}\\end{matrix})`. See :func:`cellDijFill`. 31 Note that GSAS-II variables ``p:h:Dij`` ( ``i``,``j``=1,2,3) and ``p`` is a phase number31 Note that GSAS-II variables ``p:h:Dij`` (i,j = 1, 2, 3) and ``p`` is a phase number 32 32 and ``h`` a histogram number are used for the *Dij* values. 33 33 ''' -
trunk/GSASIIscriptable.py
r4635 r4636 472 472 be either a dictionary of 'low' and/or 'high', 473 473 or a list of 2 items [low, high] 474 \\ low Sets the low limit475 \\ high Sets the high limit474 \\ low Sets the low limit 475 \\ high Sets the high limit 476 476 477 477 Sample Parameters Should be provided as a **list** of subkeys 478 478 to set or clear,\\e.g. ['DisplaceX', 'Scale'] 479 \\ Absorption480 \\ Contrast481 \\ DisplaceX Sample displacement along the X direction482 \\ DisplaceY Sample displacement along the Y direction483 \\ Scale Histogram Scale factor479 \\ Absorption 480 \\ Contrast 481 \\ DisplaceX Sample displacement along the X direction 482 \\ DisplaceY Sample displacement along the Y direction 483 \\ Scale Histogram Scale factor 484 484 485 485 Background Sample background. Value will be a dict or … … 491 491 When value is a dict, 492 492 supply any of the following keys: 493 \\ type The background model, e.g. 'chebyschev-1'494 \\ refine The value of the refine flag, boolean495 \\ 'no. coeffs' Number of coefficients to use, integer496 \\ coeffs List of floats, literal values for background497 \\ FixedPoints List of (2-theta, intensity) values for fixed points498 \\ 'fit fixed points' If True, triggers a fit to the fixed points to493 \\ type The background model, e.g. 'chebyschev-1' 494 \\ refine The value of the refine flag, boolean 495 \\ 'no. coeffs' Number of coefficients to use, integer 496 \\ coeffs List of floats, literal values for background 497 \\ FixedPoints List of (2-theta, intensity) values for fixed points 498 \\ 'fit fixed points' If True, triggers a fit to the fixed points to 499 499 be calculated. It is calculated when this key is 500 500 detected, regardless of calls to refine. 501 \\ peaks Specifies a set of flags for refining501 \\ peaks Specifies a set of flags for refining 502 502 background peaks as a nested list. There may 503 503 be an item for each defined background peak … … 509 509 subkeys to 510 510 set or clear, e.g. ['X', 'Y', 'Zero', 'SH/L'] 511 \\ U, V, W Gaussian peak profile terms512 \\ X, Y, Z Lorentzian peak profile terms513 \\ alpha, beta-0, TOF profile terms511 \\ U, V, W Gaussian peak profile terms 512 \\ X, Y, Z Lorentzian peak profile terms 513 \\ alpha, beta-0, TOF profile terms 514 514 beta-1, beta-q, 515 \\ sig-0, sig-1, TOF profile terms515 \\ sig-0, sig-1, TOF profile terms 516 516 sig-2, sig-q 517 \\ difA, difB, difC TOF Calibration constants518 \\ Zero Zero shift519 \\ SH/L Finger-Cox-Jephcoat low-angle peak asymmetry520 \\ Polariz. Polarization parameter521 \\ Lam Lambda, the incident wavelength517 \\ difA, difB, difC TOF Calibration constants 518 \\ Zero Zero shift 519 \\ SH/L Finger-Cox-Jephcoat low-angle peak asymmetry 520 \\ Polariz. Polarization parameter 521 \\ Lam Lambda, the incident wavelength 522 522 ===================== ==================== ================================================= 523 523
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