Changeset 1004
- Timestamp:
- Jul 21, 2013 8:38:32 PM (10 years ago)
- Location:
- trunk
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIobj.py
r981 r1004 346 346 Reflection Lists \ A dict with an entry for each phase in the 347 347 histogram. The contents of each dict item 348 is a list o rreflections as described in the348 is a list of reflections as described in the 349 349 :ref:`Powder Reflections <PowderRefl_table>` 350 350 description. … … 462 462 6 sig, Gaussian width 463 463 7 gam, Lorenzian width 464 8 Fobs**2465 9 Fcalc**2464 8 :math:`F_{obs}^2` 465 9 :math:`F_{calc}^2` 466 466 10 reflection phase, in degrees 467 467 11 the equivalent reflections as a (m x 3) … … 472 472 reflections as a length (m) array 473 473 13 intensity correction for reflection, this times 474 Fobs**2 or Fcalc**2 gives Iobs or Icalc 474 :math:`F_{obs}^2` or :math:`F_{calc}^2` gives Iobs or Icalc 475 14 dict with the form factor (f or b) by atom type 476 symbol at the reflection position. 477 ========== ==================================================== 478 479 Single Crystal Tree Items 480 ------------------------- 481 482 .. _Xtal_table: 483 484 .. index:: 485 single: Single Crytsal data object description 486 single: Data object descriptions; Single crystal data 487 488 Every single crystal diffraction histogram is stored in the GSAS-II data tree 489 with a top-level entry named beginning with the string "HKLF ". The 490 diffraction data for that information are directly associated with 491 that tree item and there are a series of children to that item. The 492 routine :func:`~GSASII.GSASII.GetUsedHistogramsAndPhasesfromTree` will 493 load this information into a dictionary where the child tree name is 494 used as a key, and the information in the main entry is assigned 495 a key of ``Data``, as outlined below. 496 497 .. tabularcolumns:: |l|l|p{4in}| 498 499 ====================== =============== ==================================================== 500 key sub-key explanation 501 ====================== =============== ==================================================== 502 Data 503 A list of lists, where each inner item 504 is an individual reflection 505 as described in the 506 :ref:`Single Crystal Reflections 507 <XtalRefl_table>` 508 description. 509 510 Instrument Parameters \ A list containing two dicts where the possible 511 keys in each dict are listed below. The value 512 for most items is a list containing two values: 513 the initial value, the current value. 514 The first and second 515 values are floats unless otherwise noted. 516 \ Lam Specifies a wavelength in Angstroms (two floats) 517 \ Type Histogram type (two str values): 518 * 'SXC' for constant wavelength x-ray 519 * 'SNC' for constant wavelength neutron 520 * 'SNT' for time of flight neutron 521 \ InstrName A name for the instrument, used in preparing 522 a CIF (str). 523 524 wtFactor \ A weighting factor to increase or decrease 525 the leverage of data in the histogram (float). 526 A value of 1.0 weights the data with their 527 standard uncertainties and a larger value 528 increases the weighting of the data (equivalent 529 to decreasing the uncertainties). 530 531 hId \ The number assigned to the histogram when 532 the project is loaded or edited (can change) 533 ====================== =============== ==================================================== 534 535 Single Crystal Reflection Data Structure 536 ---------------------------------------- 537 538 .. _XtalRefl_table: 539 540 .. index:: 541 single: Single Crystal reflection object description 542 single: Data object descriptions; Single Crystal Reflections 543 544 For every phase in a histogram, the ``Reflection Lists`` value is a list of 545 reflections. The items in that list are documented below. 546 547 ========== ==================================================== 548 index explanation 549 ========== ==================================================== 550 0,1,2 h,k,l (float) 551 3 multiplicity 552 4 d-space, Angstrom 553 5 :math:`F_{obs}^2` 554 6 :math:`\sigma(F_{obs}^2)` 555 7 :math:`F_{calc}^2` 556 8 :math:`F_{obs}^2T` 557 9 :math:`F_{calc}^2T` 558 10 reflection phase, in degrees 559 11 the equivalent reflections as a (m x 3) 560 np.array. 561 12 phase shift for each of the equivalent 562 reflections as a length (m) array 563 13 intensity correction for reflection, this times 564 :math:`F_{obs}^2` or :math:`F_{calc}^2` 565 gives Iobs or Icalc 566 (not used in single crystals?) 475 567 14 dict with the form factor (f or b) by atom type 476 568 symbol at the reflection position. -
trunk/GSASIIplot.py
r998 r1004 122 122 self.status.SetStatusWidths([150,-1]) 123 123 self.Bind(wx.aui.EVT_AUINOTEBOOK_PAGE_CHANGED, self.OnPageChanged) 124 self.nb.Bind(wx.EVT_KEY_UP,self.OnNotebookKey) 124 125 125 126 self.plotList = [] 126 127 128 def OnNotebookKey(self,event): 129 '''Called when a keystroke event gets picked up by the notebook window 130 rather the child. This is not expected, but somehow it does sometimes 131 on the Mac and perhaps Linux. 132 133 Assume that the page associated with the currently displayed tab 134 has a child, .canvas; give that child the focus and pass it the event. 135 ''' 136 Page = self.nb.GetPage(self.nb.GetSelection()) 137 try: 138 Page.canvas.SetFocus() 139 wx.PostEvent(Page.canvas,event) 140 except AttributeError: 141 pass 142 127 143 def addMpl(self,name=""): 128 144 'Add a tabbed page with a matplotlib plot' … … 1010 1026 cb.SetValue(' key press') 1011 1027 wx.CallAfter(OnPlotKeyPress,event) 1028 try: 1029 Page.canvas.SetFocus() # redirect the Focus from the button back to the plot 1030 except: 1031 pass 1032 1012 1033 1013 1034 def OnMotion(event): … … 2127 2148 if event.key in 'l': 2128 2149 wx.CallAfter(OnImPlotKeyPress,event) 2150 try: 2151 Page.canvas.SetFocus() # redirect the Focus from the button back to the plot 2152 except: 2153 pass 2129 2154 2130 2155 def OnImPick(event): … … 2725 2750 cb.SetValue(' save as/key:') 2726 2751 wx.CallAfter(OnKey,event) 2752 try: 2753 Page.canvas.SetFocus() # redirect the Focus from the button back to the plot 2754 except: 2755 pass 2727 2756 2728 2757 def OnKey(event): #on key UP!!
Note: See TracChangeset
for help on using the changeset viewer.