# $Id: gsasmenu.tcl 1250 2014-03-10 21:23:13Z toby $ # $Revision: 1250 $ $Date: 2014-03-10 21:23:13 +0000 (Mon, 10 Mar 2014) $ # menu information for GSAS programs # menu items to be created (N.B. File, Options & Help already exist) set expgui(menunames) {Powder Xtal Graphs Results Calc Macro Import/Export} # contents of each menu array set expgui_menulist { file { revert EraseHistory convert dlst } option { {liveplot_options} } powder { expedt powpref genles powplot rawplot fitspec bkgedit excledt seqgsas mustrplot instedit } xtal { expedt genles cad4rd p3r3data sxtldata scabs scmerge } graphs { forsrh forplot polfplot powplot ortep rawplot gsas2map liveplot vrstplot widplt absplt seqplot mustrplot } calc { cllchg composition hklgen rducll spcgroup seqgsas seqplot unimol } import/export { hklsort pubtable convert cad4rd dbwscnv x17bcnv p3r3data sxtldata gsas2pdb ref2asc ref2bin gsas2map } results { bijcalc disagl disaglviewer reflist geometry hstdmp istats rcalc composition lstview ramafit seqplot } } array set expgui_cmdlist { Save {- { Saves modifications to the current experiment file to disk} } {Save As} {- { Saves modifications to the current experiment file to disk under a new file name } } {Reread .EXP file} {- { Reread the last saved version of the experiment file from disk. This causes any unsaved changes to be lost.} } {Sort atoms by} {- { Determines the order that atoms are displayed on the "Phase" page Atoms may be displayed sorted by atom number, atom type, or by x, y or z} } {Sort histograms by} {- { Determines the order that histograms are displayed on the Histogram, Scaling and Profile pages Histograms may be sorted by histogram number, histogram type, original bank number, or diffraction angle/wavelength} } {Multiple hist. selection} {- { When this mode is off, it is possible to modify parameters and refinement flags for only a single histogram. For other settings, it is possible to modify parameters and flags for groups of histograms (see help for Mouse actions). It does not make sense, however, to globally modify instrument-related parameters and flags for histograms of different types (e.g. TOF, CW Neutron,...). So if all histogram types can be selected, the Histogram and Profile pages are disabled. If the multiple histogram selection is set to TOF, CW Neutron,... it is possible to modify Histogram and Profile parameters for groups of similar type histograms. Note that profile terms may also be grouped together when more than one phase has the same profile function, or may not be grouped together, depending on the "Group Phases Together" option.} } {Mouse actions} {- { A range of atoms or (in multiple selection mode) histograms may be selected by dragging (holding down) the left mouse button. It is also possible to select a range by using the Shift key with the left mouse button. To select or deselect individual entries, use the Control key with the left mouse button. The right mouse button selects all entries.} } expnam {readnewexp { Select an existing or new GSAS experiment to be used} } revert {{readnewexp archive} { Select an old version of the current GSAS file} } {archive EXP} {- { Toggles archiving of .EXP files. When on, files are saved prior to each save or run of expedt in a file named .Oxx where xx = 01, 02... FF} } showhelp {showhelp { Show the help information for commands and actions} } powpref {{runGSASwEXP $cmd} { Powder data preparation} {-underline 0} } bijcalc {{runGSASwEXP $cmd} { Thermal parameter analysis} } powplot {{runGSASwEXP $cmd 1} { Display powder patterns} } cllchg {{runGSASwEXP $cmd} { Transform unit cell} } expedt {{runGSASwEXP $cmd} { Run GSAS experiment editor} {-underline 0} } genles {{runGSASwEXP $cmd} { Run General Least Squares program} {-underline 0} } disagl {rundisagl { Distance/angle calculations} } disaglviewer {Geo_Viewer { Show distances and angles in a nice format} } forplot {{runGSASwEXP $cmd} { Display Fourier maps (set Fourier options in EXPEDT and then compute with FOURIER)} } hstdmp {{runGSASwEXP $cmd} { List powder histogram data} } cad4rd {{runGSASwEXP $cmd} { Prepare CAD4 single crystal data} } fourier {{runGSASwEXP $cmd} { Generate Fourier map} } gsas2map {{runGSASwEXP $cmd} { Export GSAS Fourier maps in other formats} } geometry {{runGSASwEXP $cmd} { Molecular geometry calculations} } ortep {{runGSASwEXP $cmd} { Draw crystal structure} } rawplot {{runGSASprog $cmd} { Plot powder data} } p3r3data {{runGSASwEXP $cmd} { Prepare Siemens/Brucker P3R3 single crystal data} } forsrh {{runGSASwEXP $cmd} { Search Fourier map for peaks} } hklsort {{runGSASwEXP $cmd} { Prepare HKL tables} } polfplot {{runGSASwEXP $cmd} { Display polefigures} } rducll {{runGSASprog $cmd} { Unit cell reduction} } sxtldata {{runGSASwEXP $cmd} { Prepare generic single crystal data} } scabs {{runGSASwEXP $cmd} { Single crystal absorption} } istats {{runGSASwEXP $cmd} { HKL Intensity statistics} } reflist {{runGSASwEXP $cmd} { List reflection data} } scmerge {{runGSASwEXP $cmd} { Sort and merge single crystal data} } pubtable {{runGSASwEXP $cmd} { Prepare atom parameter tables} } spcgroup {{runGSASprog $cmd} { Space group symbol interpreter} } rcalc {{runGSASwEXP $cmd} { Compute reflection resuduals} } unimol {{runGSASwEXP $cmd} { Unique molecule assembler} } gsas2cif {{runGSASwEXP $cmd} { Prepare IUCr crystallographic information (CIF) file} } vrstplot {{runGSASwEXP $cmd} { Create a "virtual reality" (.wrl) plot file} } fitspec {{runGSASprog $cmd} { Fit a TOF vanadium scattering spectrum} } dbwscnv {{runGSASprog $cmd} { Convert a powder diffraction data file from DBWS format} } x17bcnv {{runGSASprog $cmd} { Convert an energy dispersive diffractogram data file from NSLS X17b} } gsas2pdb {{runGSASprog $cmd} { Import (using GSAS2PDB & EXPEDT) and export coordinates (for macromolecular phases) to/from Protein Data Base files.} } ramafit {{runGSASprog $cmd} { Fits torsion angle distributions, particularly in peptide chains, for use in restraints.} } ref2asc {{runGSASprog $cmd} { Exports a GSAS reflection file to ASCII for use in non-GSAS programs} } ref2bin {{runGSASprog $cmd} { Imports an ASCII reflection file to the GSAS binary format.} } seqgsas {{runGSASwEXP $cmd} { Run a set of sequential GSAS refinements} } seqplot {{runGSASwEXP $cmd} { Plot results from set of sequential GSAS refinements} } mustrplot {{runGSASwEXP $cmd} { Create surface plot (display in GNUPLOT) showing effect of Stephens microstrain model} } composition {{composition} { Compute the unit cell and asymmetric unit contents for each phase taking occupancies and site multiplicities into account} } exp2xtl {{exp2xtl} { Save coordinates for a phase in an MSI xtl format file} } liveplot {{liveplot} { Create a plot of powder data (automatically updated) } } bkgedit {{bkgedit} { Fit background function to fixed background points} } excledt {{excledit} { Edit data limits and excluded data regions} } instedit {{EditInstFile} { Edit an instrument parameter file} } {New InstParm file} {- { Create a new instrument parameter file} } {liveplot_options} {liveplotopt { Used to set options for liveplot, for example, the histogram to be plotted} } convert {convfile { Convert a standard ASCII file to the direct access format used by GSAS (and for UNIX, the reverse)} } lstview {lstview { Create a box with scrollbars containing the current .LST file} } widplt {widplt { Displays the FWHM as a function of Q, 2Theta,... for UVWXY values input or read from an EXP file} } absplt {"widplt absplt" { Displays the intensity loss (1/Absorption Correction) Q, 2Theta,... for parameter values read from an EXP file} } "Override backspace" {- { This option is available in UNIX only, as there are different ways that backspace can be implemented. When option is set as "On," the backspace key is overridden to send a "delete" character. If backspace does not work in a program such as EXPEDT, change try the other setting for this option.} } SaveOptions {- { Save the current values for "Override backspace", "Sort atoms by", "Sort histograms by" and "archive EXP", etc. in ~/.gsas_config (c:\gsas.config)} } EraseHistory {DeleteHistoryRecords { Delete all but a selected number of history records; note that this speeds EXPGUI somewhat. Since the largest number for a history record is 999, the default is to also renumber the records starting with 1} } exit {- { Exit EXPGUI} } } # this defines the button bar contents set expgui(buttonlist) { expnam expedt genles powpref powplot lstview liveplot }