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id9eds.mac | ||||||
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See other macros in category: Scans Beamlines | ||||||
Description:
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Documentation:
This macro set is used on beamline ID9 for High Pressure Work for the moment. The reciprocal space is searched for reflections. Utilities to index this reflections and find other reflections are provided OVERVIEW ATTENTION Do not forget to select reflections (flag set to 16), for those reflections you would like to use in the different external programs (like calculating the OM , auoindexing, ...) BUGS There are some bugs or questions to be fixed * Why are all the reflections ignored which can be divided by 2 or 3 in calcall. Not all people might want to have that. * Autoindexing finds sometimes no suitable cr. and put metric tensor to 0 * the interaction with psearch and mca has been isolated but that is probably not good enough | ||||||
Macros:
Usage: edssetup [two-theta minth maxth] This macro initializes the global variables and ask the user for some values which will not change later. It has to be called before doing anything else. The user is asked to enter the two-theta angle, where he would like to carry out the measurement and limits for the theta movement. edssearch Usage: edssearch This macro initiates the actual search procedure. The user is asked to specify the necessary parameters and the search is started. The following questions are asked: Filename of the search result file All output will go to this file Theta scan speed in seconds per degree FWHM = sqr[a^2 + b*E + (c*E)^2] These parameters are used for Term (a) in keV the peak search (in the Energy Term (b) in keV spectrum). Term (c) Minimum Energy to save These parameter allow to Maximum Energy to save restrict the peaks which will Minimum Intensity to save be accepted and for every angle From <angle> A step scan in chi and a continous To <angle> scan in theta will be carried Step size <angle> out.The following procedure is used to search for scans : hkl Usage: hkl [E chi th] This macros calculates the HKL for a given E,th,chi pair. indexlist Usage: indexlist Indexes a reflection list by using spec`s orientation matrix. The old hkl from the reflection list will be deleted from the file. enterUB Usage: enterUB Asks user to enter the Orientation matrix in the UB array Rows have to be entered, separated by space. listUB Usage: listUB Prints the UB matrix on the screen leastsquares Usage: leastsquares This macro calls the external program refine_cell_spec to do a least square fit on all the selected (with flag bit 0x10 set to 1) reflections in a file. autoindex Usage: autoindex This macro calls the external program autoindex_spec to try to find the indexes of the selected (with flag bit 0x10 set to 1) reflections in a file. indexcell Usage: indexcell The macro calls the external program calc_om_spec to calculate the orientation matrix from reflections in a file (default EDSINDEXFILE). The user selects the reflections and enters at the keyboard the hkl values. The orientation matrix is calculated and inserted into spec. angles Usage: angles <h> <k> <l> Calculates E, theta (omega), chi for the given h k l and offers the user a choice to move the motors to this position editlist Usage: editlist Add reflections to a list of reflection, edit reflection list. Very primitive for the moment. Should be replaced with an editor later. For the moment you can enter the following commands: calcall Usage: calcall Calculates all possible reflections up to a certain energy. Only reflections are included which can not be divided by 2 or 3. (These reflections are at the same chi/th with twice (three times) the energy) nextref Usage: nextref [force_new_file_flag] This macro goes to the next reflection from a user specified reflection file. The angles are calculated from (hkl) in the file. If a parameter is given, it will ask the file name , otherwise it will ask the file name only the first time it is called. | ||||||
Internal Macros: | ||||||
Usage: edssearchinput This macro is called from edssearch to ask the user for the parameters of the search to be carried out. eds_movetth Usage: eds_movetth Move eds two theta motor to EDS_TTH eds_movechi Usage: eds_movechi Move eds theta motor to EDS_AN0[1] and chi to EDS_AN0[0]+nchi*chistep eds_startmoveth Usage: eds_startmoveth Starts the theta motor eds_getthdth Usage: eds_getthdth Calculates thcen and thdelta. In the old version the search subdivided the th steps to get better resolution. As this was not used it is removed in this version eds_getangles Usage: eds_getangles A get_angles with printing the motor positions on the screen. eds_searchth Usage: eds_searchth Moves theta motor slowly and aquires data on the mca eds_findpeak Usage: eds_findpeak Searches for peaks in the energy spectrum, plots the spectrum and writes the result into the file and on the screen. eds_fast Usage: eds_fast Sets the velocity and base rate of the theta motor to the saved normal speeds EDSOLDSPEED and EDSOLDBASE eds_slow Usage: eds_slow Sets the velocity and base rate to the slow EDSSPEED (in s/degree) eds_mcaacqstart Usage: eds_mcaacqstart eds_mcaacqstop Usage: eds_mcaacqstop eds_initmca Usage: eds_initmca eds_plotspectrum Usage: eds_plotspectrum eds_psearch Usage: eds_psearch eds_getpeakvalue Usage: eds_getpeakvalue eds_writeinfile Usage: eds_writeinfile Writes the result from the peak search together with the current angles to the search file edsreadfile Usage: edsreadfile [filename] [print-flag] Reads file with EDS_IPR items per line and comment lines in the array EDS_RES. If print-flag is true, every line will be printed on the screen. EDS_LINES will hold the number of data lines and EDS_MAXNO will have the maximum value in the first column (The peak number). edswritefile Usage: edswritefile [filename] [macro name for comment] Writes file with reflections with data from EDS_RES EDS_LINES holds the number of data lines. eds_listrefl Usage: eds_listrefl eds_fileheader Usage: eds_fileheader <filename> <macro name for comment> [no geo parameters] Saves information in the file header for reflection list and other files, The header includes USER, SPEC, date(), EDS_COMMENT, lattice const, UB. The third parameter can be set to 1 if no geometric parameters like OM and lattice should be in the header. eds_preloadmatrix Usage: eds_preloadmatrix This macro does something very tricky be able to load the OM into SPEC. The problem is that SPEC has a Flag set either if it starts up or if somebody calls calcG that the OM should be recalculated on the next calcA from the primary and secondary orientations. So all what I can think of is to force a recalculation before loading the matrix. eds_eds2fourc Usage: eds_eds2fourc <E> <omega> <chi> This macro calculates the fourc angles from the eds "angles" E omega chi. The fourc values are returned in the variables ftth, fth, fchi, and fphi. It uses the LAMBDA and EDS_ED. eds_eds2hkl Usage: eds_eds2hkl <E> <omega> <chi> This macro calculates hkl given in H K L from the eds "angles" E omega chi eds_multUB2PI Usage: eds_multUB2PI Multiplies Spec UB by 2 * PI PI2 Usage: PI2 eds_savegroup Usage: eds_savegroup Saves group into file if EDS_GR_MOD is true. Will be called from cleanup. Used in editlist. eds_calcangles Usage: eds_calcangles h k l Used to calculate chi, omega, and theta from h k l The output variable names are fixed to v_chi, v_omega v_theta v_energy | ||||||
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