Changeset 247


Ignore:
Timestamp:
Dec 4, 2009 5:02:51 PM (11 years ago)
Author:
toby
Message:

# on 2000/07/28 20:20:03, toby did:
document profile constraints

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1 edited

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  • trunk/doc/expgui6.html

    • Property rcs:date changed from 2000/07/03 21:41:08 to 2000/07/28 20:20:03
    • Property rcs:rev changed from 1.1 to 1.2
    • Property rcs:lines set to +79 -8
    r223 r247  
    3636The constraints pane is used to set these "hard constraints."
    3737At this time the only constraints that can be set in EXPGUI are on atomic
    38 parameters (others can be set in EXPEDT).
     38and profile profile (others can be set in EXPEDT).
    3939<P>
    40 Note that these constraints are only applied to shifts but not to the
     40Note that these constraints are only applied to shifts, but not to the
    4141actual values. This means that, for example,
    4242if two atoms
     
    4545as the values refine.
    4646<P>
     47Due to the way GSAS implements constraints, a parameter can be included
     48in only one constraint. Should one or more parameters be constrained twice,
     49the refinement results are unpredictable.
     50
     51</DL></DL>
    4752<H4>Atom Constraints</H4>
     53<DL><DL>
    4854The atom constraints editing pane appears below. Note that constraints can
    4955be listed sorted by constraint number, phase number, lowest atom number or
     
    5561<DL><DL>
    5662
    57 Due to the way GSAS implements these constraints, a parameter can be included
    58 in only one constraint. Should one or more parameters be constrained twice,
    59 an error message is shown as shown below.
    60 Note that the constraint number is displayed as red, for constraints that
    61 have conflicts in the constraints editing pane (see above.)
     63Should parameters be included in more than one constraint,
     64an error message is displayed, as shown below.
     65Note that the constraint number is displayed as red on the main
     66atomic constraints window (see above), if the
     67constraint contains a parameter referenced elsewhere.
     68
    6269</DL></DL>
    6370<img SRC="mcerr.gif" align=TEXTTOP>
     
    95102</DL></DL>
    96103
     104<H4>Profile Constraints</H4>
     105<DL><DL>
     106The profile constraints editing pane appears below. Profile constraints
     107are used to relate the shifts applied to profile terms for different
     108phase/histogram combinations. Profile terms are identified by number,
     109so while EXPEDT allows one to constrain the first profile term for
     110a TOF histogram to a the first term in a CW histogram, EXPGUI attempts to
     111make this impossible.
     112<P>
     113To delete one or more constraints, click on the appropriate checkbuttons
     114in the <B>Delete</B> column and the press the Delete button, below.
     115</DL></DL>
     116<img SRC="pc.gif" align=TEXTTOP>
     117<DL><DL>
     118
     119<img SRC="pcerr.gif" align=LEFT>
     120Should parameters be included in more than one constraint,
     121an error message is displayed, as shown below.
     122Note that the constraint number is displayed as red on the main
     123profile constraints window (see above), if the
     124constraint contains a parameter referenced elsewhere.
     125
     126<BR CLEAR=LEFT>
     127<P>
     128When the edit button for a constraint is pressed, the constraint is
     129opened for editing, as shown below.
     130Listboxes contain the available phases and histograms.
     131Only the histograms of the same data type (TOF, CW or ED) are included,
     132but no check is made to ensure that the
     133selected phase/histogram combinations
     134all have the same profile type.
     135Note that for phase and histogram selection, use of the control key
     136and the left mouse button allow individual items to be selected or deselected.
     137Shift and the left mouse button allow ranges of items to be selected and the
     138right mouse button selects all phases or histograms.
     139<A href="expgui.html#mouseactions">(see Mouse Actions)</A>.
     140<P>
     141<img SRC="pcedit.gif" align=TEXTTOP>
     142<P>
     143</DL></DL>
     144<img SRC="pcnew1.gif" align=LEFT>
     145When the "New Constraint" button is pressed, a window is opened to select
     146the histogram and profile function type to be constrained. Note that
     147only for profile function #4, where the number of terms depends on the
     148phase symmetry, does it matter what phase you select. The available profile
     149terms are displayed on the bottom of the window and more than
     150one can be selected.
     151<BR CLEAR=LEFT>
     152<P>
     153<DL><DL>
     154<img SRC="pcnew2.gif" align=LEFT>
     155
     156After the "Continue" button is pressed, a constraint
     157edit window is opened, as shown to the left.
     158Listboxes contain the available phases and histograms and
     159only the histograms of the selected data type are included, as before.
     160Also, for phase and histogram selection, use of the control or shift key
     161and the left mouse button allow individual items to be selected or deselected
     162and the right mouse button selects all phases or histograms.
     163Note that if more than one profile term was selected on the previous window,
     164the same set of constraints are for each term.
     165
     166<BR CLEAR=LEFT>
     167</DL></DL>
    97168<hr>
    98169<A Href="expgui.html">EXPGUI top</A>
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