Changeset 751
- Timestamp:
- Dec 4, 2009 5:11:24 PM (14 years ago)
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trunk/doc/liveplot.html
- Property rcs:date changed from 2003/05/22 22:07:46 to 2003/11/13 17:31:03
- Property rcs:lines changed from +16 -5 to +85 -71
- Property rcs:rev changed from 1.12 to 1.13
r710 r751 40 40 <P> 41 41 Both LIVEPLOT and BKGEDIT get the current diffraction information 42 by running the TCLDUMP program, if installed, or43 HSTDUMP otherwise. The TCLDUMP program has been optimized for use44 with LIVEPLOT and offersa number of extra42 by running the GSAS TCLDUMP program, if installed, or 43 the GSAS HSTDUMP otherwise. The TCLDUMP program has been optimized for use 44 with LIVEPLOT and allows LIVEPLOT to offer a number of extra 45 45 options that are not available when HSTDUMP is used. Since TCLDUMP has been 46 included in GSAS since April of 2000, it is assumed that this is now the case. 46 included in GSAS since April of 2000, the following documentation assumes 47 that TCLDUMP is installed. 47 48 48 49 <a name="liveplot"></a> … … 54 55 <UL> 55 56 <LI>The plot is updated automatically after each refinement run 56 <LI>The plot can be zoomed, by clicking on the corners of the 57 area to be magnified. 57 <LI>The plot can be "zoomed-in", by clicking on the corners of the 58 area to be magnified and "zoomed-out" using the 59 right mouse button (Mac: Apple+click) 58 60 <LI> 59 61 The units used for plotting histograms can be selected. Choices are: … … 71 73 Reflection indices (<I>hkl</I> values) can be shown for tickmarks 72 74 <LI> 73 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36 alt="New!">75 <IMG SRC="note.gif" alt="Note!"> 74 76 The cumulative chi<sup>2</sup> function can be plotted. 75 77 <LI> 76 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36 alt="New!">78 <IMG SRC="note.gif" alt="Note!"> 77 79 The cursor position can be displayed 78 80 <LI> 79 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36 alt="New!">81 <IMG SRC="note.gif" alt="Note!"> 80 82 Plots can be <a href="#export">exported to obtain publication-quality 81 83 graphics.</a> … … 84 86 <a name="bkgedit"></a> 85 87 <H3>BKGEDIT</H3> 86 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36 alt="New!">88 <IMG SRC="note.gif" alt="Note!"> 87 89 BKGEDIT is used to fit a background function to a set of points 88 90 selected by the user. … … 108 110 is good enough for the initial stages of refinement and that can be 109 111 refined once the model is adequate for the task. 110 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36 alt="New!">112 <IMG SRC="note.gif" alt="Note!"> 111 113 BKGEDIT can be used to fit GSAS background functions 1-6 (though 112 114 for most purposes only type 1 is needed.) … … 248 250 <B>Plot contents:</B> 249 251 Reflection markers can be placed using the File/Tickmarks menu item 250 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36 alt="New!">or by pressing the252 <IMG SRC="note.gif" alt="Note!">or by pressing the 251 253 "1" key for phase 1, "2" for phase 2,... Note that many attributes 252 254 for reflection markers can be edited using … … 254 256 255 257 <P> 256 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36 alt="New!">258 <IMG SRC="note.gif" alt="Note!"> 257 259 If more than one histogram is available to plot, it is possible to cycle 258 260 between the histograms by pressing the "n" or "N" (for next) key. … … 271 273 If the right mouse button is pressed, the previous zoom setting is used, 272 274 so that the left mouse button is used to "zoom in" and the right mouse 273 button is used to "zoom out." 274 <P> 275 <IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!"> 275 button is used to "zoom out." Note, on the Macintosh, hold down the 276 Apple button while using the [only] mouse button to simulate a right-click. 277 278 <P> 279 <IMG SRC="note.gif" alt="Note!"> 276 280 Zoom settings can also be entered manually by pressing the "Z" key. This 277 281 opens a dialog, as is shown to the right, where the x- or y-axis range … … 283 287 <a name="LiveCursor"></a> 284 288 <img SRC="cursor.gif" align=RIGHT alt="LIVEPLOT live cursor"> 285 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36 alt="New!">289 <IMG SRC="note.gif" alt="Note!"> 286 290 <B>Cursor Display:</B> 287 291 Pressing the "L" (or "l") key, or using the Option/Show Cursor Position … … 335 339 <P> 336 340 <a name="export"></a> 337 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36>341 <IMG SRC="note.gif" alt="Note!"> 338 342 <B>Export plot options</B> 339 343 <UL><LI> … … 367 371 <DD>Checkbuttons are provided for each phase to determine if tick marks 368 372 will be shown. 369 <IMG SRC="new.gif" HEIGHT=13 WIDTH=36 alt="New!">Tickmarks can also be 373 <IMG SRC="note.gif" alt="Note!"> 374 Tickmarks can also be 370 375 toggled by pressing the 371 376 "1" key for phase 1, "2" for phase 2,... … … 376 381 <DD>This allows a histogram to be selected to be loaded 377 382 <DL><DL> 378 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36 alt="New!">383 <IMG SRC="note.gif" alt="Note!"> 379 384 It is also possible to advance 380 385 between the histograms by pressing the "n" or "N" (for next) key. … … 395 400 <A name="grace"> 396 401 <DT>to Grace 397 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36>402 <IMG SRC="note.gif" alt="Note!"> 398 403 <DD>Plots can be exported to 399 404 <A HREF="http://www.nist.gov/cgi-bin/exit_nist.cgi?url=http://plasma-gate.weizmann.ac.il/Grace/">Grace</A>, WYSIWYG 2D plotting tool for X-Windows … … 422 427 bottom to the top of the plot. 423 428 <DT>Label by name 424 <IMG SRC="n ew.gif" HEIGHT=13 WIDTH=36 alt="New!">429 <IMG SRC="note.gif" alt="Note!"> 425 430 <DD> 426 431 By default, a label "Phase1",... is displayed in the legend when tickmarks … … 506 511 (or <FONT FACE="COURIER">c:\gsas.config</FONT>) 507 512 files. 508 Note that some of these options are relevant only if the tcldump program is509 present.510 513 <DL><DL> 511 514 <DT><FONT FACE="COURIER">peakinfo(flag<i>n</i>)</FONT><DD> … … 577 580 The time in seconds before reflection labels are removed. A value of zero means that reflections 578 581 must be deleted manually (Shift-Right-Mouse). 579 582 (Mac: Shift+Apple+click) 580 583 <DT><FONT FACE="COURIER">expgui(lblfontsize)</FONT><DD> 581 584 A size for reflections labels in pixels. … … 589 592 </DL></DL> 590 593 <P> 591 <hr><H2>Installation details/External Programs</H2> 592 <B>Using TCLDUMP with LIVEPLOT.</B> 593 LIVEPLOT works with the standard GSAS program HSTDMP, but it works faster and is more 594 powerful when used with the TCLDUMP program. 595 Note that as of the April 2000 releases, GSAS is now distributed with TCLDUMP 596 included. For older versions of GSAS, note the 597 instructions for downloading this file can in the installation notes for 598 <A HREF="expgui_Win_readme.html"> 599 Windows</A> and 600 <A HREF="expgui_Unix_readme.html"> 601 UNIX</A>. 602 <P> 603 604 <B>Combining CMPR and LIVEPLOT.</B> 605 If you have <A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/cmpr">CMPR</A> 606 installed on your computer, you can use superimpose on the GSAS results 607 the peaks for an arbitrary unit cell. If desired, space group extinctions 608 can even be shown. 609 This is pretty neat! To enable this feature, you must have a version 610 of CMPR downloaded after 4 May 1998 594 <hr><H2>Interfacing External Programs</H2> 595 <IMG SRC="new.gif" alt="New!"> 596 <B>Combining LIVEPLOT with CMPR & LOGIC</B> 597 If you have the 611 598 <A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/cmpr"> 612 (see link for CMPR installation instructions.)</A> 613 <UL><LI> 614 For UNIX, create a link from in the EXPGUI 615 directory to file cellgen.tcl in the CMPR directory. For example: 616 <FONT FACE="COURIER"><PRE> 617 ln -s /usr/local/cmpr/cellgen.tcl /usr/local/gsas/expgui/cellgen.tcl 618 </PRE></FONT> 619 <LI>For Windows, copy all the .tcl and .exe files from the CMPR directory 620 into the EXPGUI directory. 621 </UL> 622 <P> 623 624 <B>Combining LOGIC and LIVEPLOT.</B> 625 If you have <A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/logic.html">LOGIC</A> 626 installed on your computer, you can superimpose peaks 627 for a entry from the ICDD/JCPDS database on a pattern in LIVEPLOT. 628 This is also pretty neat! 629 To enable this feature, you must have 630 a version of LOGIC downloaded after 4 May 1998 631 <A HREF="http://www.ncnr.nist.gov/programs/crystallography/software/logic.html"> 632 (see the LOGIC installation instructions.)</A> 633 <UL><LI> 634 For UNIX, create a link from in the GSAS GUI 635 directory to file icddcmd.tcl in the LOGIC directory. For example: 636 <FONT FACE="COURIER"><PRE> 637 ln -s /usr/local/powdersuite/icddcmd.tcl /usr/local/gsas/expgui/icddcmd.tcl 638 </PRE></FONT> 639 <LI>For Windows, copy all the LOGIC files into the EXPGUI directory. 599 CMPR/LOGIC</A> 600 programs installed on your computer, you can use superimpose on the 601 GSAS results the peaks for an arbitrary unit cell. 602 If you have the 603 <A HREF="http://www.nist.gov/cgi-bin/exit_nist.cgi?url=http://www.icdd.com/products/overview.htm"> 604 ICDD-JCPDS PDF-2 powder diffraction database</a>, 605 you can also superimpose entries from this database on the 606 GSAS results displayed in LIVEPLOT. 607 <P> 608 When the CMPR/LOGIC program is installed in the same location 609 as the GSAS package (<i>e.g.</i> 610 <font face="courier">/home/gsas</font> & 611 <font face="courier">/home/cmpr</font> 612 or <font face="courier">C:\DIFRC\GSAS</font> & 613 <font face="courier">C:\DIFRC\CMPR</font>) or if 614 the CMPR/LOGIC programs are loaded into standard locations 615 (<font face="courier">/usr/local/cmpr</font> or 616 <font face="courier">~/cmpr</font> for Unix and Mac OSX or 617 <font face="courier">c:\cmpr</font> or 618 <font face="courier">c:\Program files\cmpr</font> for Windows), 619 the LIVEPLOT program will locate both programs and add an extra menu labeled 620 "Peak Gen" to the menu bar. If the CMPR program is not located automatically, 621 you may customize this location by specifying a value for 622 Tcl/Tk variable cmprdid by including a line such as this: 623 <PRE> 624 set cmprdir C:/ncnrpkg/cmpr 625 </PRE> 626 in the <FONT FACE="COURIER">localconfig</FONT>, 627 <FONT FACE="COURIER">.gsas_config</FONT> 628 or <FONT FACE="COURIER">c:\gsas.config</FONT> files 629 [note that forward slashes ("/") should be used here, even for windows.] 630 631 <P> 632 The "Peak Gen" menu will have either or both of two entries 633 "Display a cell" and "Plot ICDD Entry", depending on what 634 software is located. The 635 "Display a cell" option produces a window similar to the 636 <A href="http://www.ncnr.nist.gov/xtal/software/cmpr/doc/cmprdoc.html#editcell"> 637 Edit Cell feature in CMPR</A> 638 where allowed reflection positions are displayed for a set of unit cell 639 parameters and optionally a space group or extinction conditions. 640 The "Plot ICDD Entry" provides a window similar to the 641 <A href="http://www.ncnr.nist.gov/xtal/software/cmpr/doc/cmprdoc.html#editcell"> 642 LOGIC interface in CMPR</A> 643 where ICDD searches may be conducted. From the resulting list of matches, 644 selected entries may be displayed. 645 <P> 646 Note that these routines display peak positions in units of 2Theta, Q or 647 d-space. If you are using TOF or EDS data, you must select Q or d-space 648 display in LIVEPLOT. If you are using 2Theta, you must supply the correct 649 wavelength. 650 <P> 651 Note that a version of both EXPGUI and CMPR/LOGIC from November 2003 or later 652 must be used for these features to work. 653 640 654 </UL> 641 655 <hr>
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