Ignore:
Timestamp:
Feb 10, 2018 12:25:09 PM (4 years ago)
Author:
toby
Message:

revise plot update code; add plotting docs & cleanup; always use last phase tab

File:
1 edited

Legend:

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  • trunk/help/gsasII.html

    r3265 r3270  
    34283428  are of the form ‘p:h:name:id’ where ‘p’ is the phase index, ‘h’ is
    34293429  the histogram index and ‘id’ is the item index (if needed). Indexes
    3430   all begin with ‘0’ (zero). Note that for atom positions the value is
    3431   not a refinable parameter, but the shift in the value is. Position
    3432   names are, e.g. ‘0::Ax:0’ for the x-position of the 0th atom in
    3433   the 0th phase while shift names have a ‘d’ in them,
    3434   e.g. ‘0::dAx:0’. Press the window exit button to exit this dialog box.
     3430  all begin with ‘0’ (zero).
     3431<P>
     3432      Note that for atom positions, the coordinate values (named as
     3433  ‘p::A<i>w</i>:n’, where p is the phase number, n is the atom number
     3434  and <i>w</i> is x, y or z) is
     3435  not a refinable parameter, but the shift in the value is. The
     3436  refined parameters are ‘p::A<i>w</i>:n’.
     3437      The reason this is done is that by treating an atom
     3438  position as x+dx,y+dy,z+dz where the “d” values indicate shifts from
     3439  the starting position and the shifts
     3440  are refined rather than the x,y, or z values is that this simplifies
     3441  symmetry constraints. As an example, suppose we have an atom on
     3442  a symmetry constrained site, x,1/2-x,z. The process needed to define
     3443  this constraint, so
     3444  that if x moves positively y has to move negatively by the same
     3445  amount would be messy. With refinement of shifts, all we need to do is constrain dy (‘0::dAy:n’)
     3446  to be equal to -dx (-1*‘0::dAx:n’).
     3447      <P>
     3448      Press the window exit button to exit this dialog box.
    34353449    <DT><b>Refine</b>
    34363450    <DD>This performs the refinement (Pawley/Rietveld or single
     
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    7144 <!-- hhmts start -->Last modified: Tue Feb  6 17:27:23 CST 2018 <!-- hhmts end -->
     7158<!-- hhmts start -->Last modified: Tue Feb  6 22:56:34 CST 2018 <!-- hhmts end -->
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