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FIT HELP
-
-

-Available fit functions: 
-  1-20 Gaussian, Lorentzian or Gaussian folded with Lorentzian 
-  Critical exponents, Strange peaks, User defineable functions 
-  
-Data files supported: 
-  TASMAD, NeXus (DMC, HRPT, FOCUS, MARS, RITA) 
-  ASCII multicolumn format, SICS ascii, 
-  LNS Powder Ascii, TASCOM, Fullprof plot output 
-  5c2, INX, IDA, 2T, PANDA, CCL 
-  
-Most fit commands can also be linked to a user FORTRAN program. 
-  
-Report bugs & wishes to markus.zolliker@psi.ch 
-  
-Topic                                    Available keyword 
------------------------------------------------------------------------------ 
-Command syntax                           commands 
-Features in plot window                  graphics 
-New features since 1990                  history 
-Programming your own user function       user_function  cinfo  init 
-Control FIT from a FORTRAN program       callable 
-Fortran interface of any FIT command     fit_X (where X is any FIT command) 
-Datafile specific options                opt 
-  
-Commands             Available keywords 
------------------------------------------------------------------------------ 
-fitting commands:    fit mig sim epsi vtest err pri 
-function definiton:  fun auto newpeak 
-parameter handling:  set lim fix cor rel fcn reserr 
-input:               load dat link next opt 
-output:              save file out list export 
-fit region:          win exclude include keep 
-data manipulation:   mon merge mul sub add abskor trans bgedit 
-plot:                plot scal rsc choose plog plin file 
-plot style:          bars connect style colors legend 
-miscellaneous:       help info exit tit @ 
-
-

-Syntax of an interactive command: 
-  
-Command   parameter1,parameter2,parameter3,... 
-  
-If you omit some parameters, usually default values are taken or, 
-if it is explicitly documented, the program asks for missing 
-parameters. 
-Some commands can be shortened (indicated in brackets []) 
-
-

-FIT n    Start fitting by minimum gradient method (Davidon-Fletcher-Powell 
-[F]      algorithm). If the algorithm fails, simplex is called. 
-  
-MIG n    Start fitting by minimum gradient method. Even if the algorithm 
-         fails, simplex is not called. 
-  
-SIM n    Start fitting by simplex method. 
-  
-MIN n    Start fitting by simplex followed by gradient method 
-[M] 
-     (n: Limit for the number of function calls, default n=1000) 
-  
-ERR f    Errors correspond to a FCN change of f (default: f=1.0). 
-  
-         FCN = sum over { (Ycal(i)-Yobs(i)) / Sig(i) }**2 
-         Chi**2 = FCN / Nfree 
-  
-EPSI e   Convergence criterion (Estimated distance to minimum). 
-         Default e=0.1*f 
-  
-VTEST v  Second convergence criterion for gradient method 
-         (fractional change in variance matrix). Default: v=0.01 
-  
-PRI i    Amount of printout during fit algorithm (i=0..5, default: i=0) 
-
-

-FCN            Show all parameters 
-  
-SET i,v,e      Set parameter i to value v with estimated error e 
-i=v,e          Alternative command syntax 
-  
-LIM i,l,u      Set limits of parameter i to l and u. 
-LIM i          Remove limits of parameter i 
-  
-SET i,v,e,l,u  a combination of the commands SET and LIM 
-  
-FIX i,j,...    FIX parameter i and j and ... at actual value 
-  
-COR i,j,f,c    Correlate parameters p(i)=p(j)*f+c 
-               Default: f=1.0, c=0.0 
-  
-REL i,j,...    Release parameter i and j and ... from FIX or COR 
-               If MaxInt or IntInt is released, the other of the two will be 
-               correlated automatically. 
-REL            Release all parameters 
-  
-RESERR         should be called when after an unsuccesful fit the errors are 
-               set to very small values. A further FIT step will then often 
-               be successful. 
-  
-Note: instead of the parameter number i you can use the short parameter name. 
-
-

-LOAD filename     Load data and parameters. 
-LOAD              Ask for filename to load context. 
-  
-DAT               Ask for filetype, filename/version number 
-                    (parameters are not loaded) 
-DAT filelist      Load data file(s) (syntax for filelist see below) 
-  
-LINK filelist     Add more data (syntax for filelist see below) 
-  
-NEXT       [N]    The same as DAT; MON; WIN; BARS; FUN 
-  
-Filelist syntax examples: 
-  
-101,103-105        Read numors 101,103,104,105 (actual year, actual instrument) 
-TASP/2000/10       Read numor 10 (year 2000 from TASP) 
-dmc/33             Read numor 33 from DMC (actual year, case not relevant) 
-2001/203,2002/10   Read numor 203 from 2001 and numor 10 from 2002 
-&101,103-105       Read numors 101,103,104,105 and merge them 
-+103-105           Read numors 103-105, conserving old data (as in the LINK command) 
-  
-Example with options (see also command OPT): 
-  
-focus/101[bank=b]  Read middle bank from numor 101 on focus 
-
-

-You can preset options with the OPT command for successive data input, or 
-you may specify the options directly after the filename or numor enclosed 
-by square brackets [ ]. 
-  
-OPT     Show a list of options for the type of the last read 
-        file, show the previous selected options, and enter new options 
-  
-OPT ?   Show a list of possible options and actually selected options 
-
-

-SAVE filename         Save data, fit parameters, window and scaling 
-SAVE                  Ask for filename before saving 
-  
-FILE xstep, filename  Save two files with observed and calculated dataset 
-                      for other plot software (xstep for calculated dataset, 
-                      xstep=0: a default value of (xmax-xmin)/100 is taken). 
-                      Give TT as filename for output at terminal directly 
-FILE                  Ask for filename and step 
-  
-LIST [L]              Listing on terminal (x, y, yfit) 
-  
-OUT                   Output of listing (not a program-readable format!) 
-  
-OPEN file             Open a file for output of fit results (default: fit.txt) 
-  
-K par1,par2 ..        (K=keep) Write a line with values of given parameters 
-K                     Write parameters used last time or all parameters 
-                      You might use 'K' in the plot window for this command 
-  
-EXPORT type,filename  export data (file types available: DMC, D1A) 
-EXPORT step,type,filename   export with given x step 
-
-

-WIN xmin,xmax            Set fit window. 
-WIN                      Ask for fit window 
-WIN 1,1                  Maximal fit window. 
-[W] 
-  
-EXCLUDE x1,x2            Exclude range x1..x2 
-EXCLUDE x1,x2,y1,y2      Exclude rectangle (x1,x2,y1,y2) 
-EXCLUDE 1,1,y1,y2        Exclude range y1..y2 
-[EXCL] 
-  
-INCLUDE ...              Re-include regions (syntax as for EXCLUDE) 
-[INCL] 
-  
-KEEP                     List window and in-/excluded regions and 
-                           ask if they have to be kept on new data 
-KEEP Y                   Enable persistent window/regions 
-KEEP N                   Disable persistent window/regions 
-
-

-MON m            Change Monitor 
-MON              Ask for Monitor 
-  
-USEMON           Choose which channel to use as monitor 
-  
-MERGE s          Add datapoints with same x (within a limit s). 
-                 If s is omitted, it is determined automatically 
-                 Overall monitor is changed, if appropriate 
-  
-MUL s1,s2,s3...  Multiply datasets with scale factor. 
-  
-ABSKOR muR,ri,ra Correct for absorption 
-                 muR<0 inverse correction (muR as for a full cylinder) 
-                 ri>0: hollow cylinder (inner radius/outer radius) 
-                 ra: sample radius/radial collimator fwhm 
-  
-TRANS d,lambda   Transform x-axis from to d (powder diffraction) 
-TRANS q          Transform x-axis to q (lambda is taken from file or last cmd) 
-TRANS 2theta     Transform back to 2-Theta 
-TRANS            Ask for x-axis to transform to 
-  
-SUB filename     Subtract a file from actual data 
-  
-ADD constant     Add a constant to data 
-  
-BGEDIT file      Edit graphically a background file 
-[BG] 
-
-

-FUN            Ask for fit function and start parameters. 
-  
-FUN n          Select fit function n (ask for start parameters, if needed) 
-  
-               n=0,1  Single Gaussian/Lorentzian  (auto start parameters) 
-               n=2,3  Multiple (1..4) Gaussian/Lorentzian 
-               n=4    Gaussian+Lorentzian 
-               n=5    Critical exponent 
-               n=6    Strange peak (auto start parameters) 
-               n=7    User function (see topic User_function) 
-               n=8    Plot only (no parameters) 
-  
-AUTO           Determine start values for first peak (for function 0,1,2,3,4) 
-  
-NEWPEAK        Create a new peak (for function 0,1,2,3,4). 
-  
-               Delete a peak by setting intensity and error to zero. 
-
-

-PLOT               [P]    Plot (See also topic Graphics) 
-PLOT  yes                 Plot, make hardcopy file and do not wait. 
-PLOT  auto                automatic plot after every command 
-PLOT  off                 switch off automatic plot 
-  
-SCAL xmin,xmax,ymin,ymax  Set plot scale 
-SCAL              [SC]    Ask for scale 
-  
-RSC                       Reset plot scale (auto scale). 
-  
-PLOG shift                Set logarithmic mode (and set shift between datasets) 
-PLIN shift                Set linear mode (and set shift between datasets) 
-  
-CHOOSE           [CHO]    Select printer and printer options 
-  
-See also: 
-  
-  FILE  (export for other plot software) 
-  STYLE (plot style, legend) 
-  Graphics (hot keys in plot window) 
-
-

-BARS Yes/No               Enable/disable error bars. 
-  
-CONNECT Yes/No   [CON]    Enable/disable lines between data points 
-  
-STYLE s1,s2,s3...         Change style of dataset points 
-STYLE                     Ask for dataset styles 
-  
-COLORS           [COL]    Use colors for different datasets 
-COLORS n                  Use n colors for different datasets 
-COLORS 0                  Use black and white 
-  
-NCURVES n                 Set number of curves for User-Function 
-  
-LEGEND           [LEG]    Show legend (Numor is default) 
-LEGEND var                Use 'var' for legend ('LEGEND Temp' for temperature) 
-LEGEND 0                  Do not show legend 
-LEGEND label1|label2|label3 .... 
-                          Show a customized legend 
-LEGEND |label4|label5|label6 .... 
-                          Append to a customized legend 
-LEGEND @x,y               Set top left coordinate of legend (percent of window 
-                          width/height, y is measured from the top) 
-  
-See also: 
-  PLOT  (other commands related to plot) 
-  Graphics (hot keys in plot window) 
-
-

-@filename              Execute commandfile 
-  
-HELP            [H]    Get help 
-HELP command           Get help on command. 
-  
-INFO                   Show additional information from the last 
-                       read data file. 
-INFO level             level is a small number controlling the amount 
-                       of output for the info command 
-  
-INFO variable          show the value of this variable 
-  
-variable=value         set a variable 
-  
-EXIT           [EX]    Exit program and save parameters and datapoints. 
-  
-QUIT           [QU]    Quit program without saving.. 
-  
-TITLE title   [TIT]    Change title. 
-TITLE                  Ask for title. 
-  
-FULLMESS               After this command, error messages are more detailed, and 
-                       the program quits after an error. 
-
-

-On Unix: 
-  
-  Get an example file:    myfit 
-  
-  Rename fitexample.f to a name of your choice (i.e. xxx.f) 
-  and edit the parameters and the fit function. 
-  
-  Compile:                myfit -o xxx xxx.f 
-  Run:                    ./xxx 
-  
-You may add any g77 option or parameter to the myfit argument list. 
-  
-  
-On VMS: 
-  
-To define your own user function, type MYFIT and change the file 
-FIT.FOR to your own function, rename the file to your own program 
-name xxx, compile it, link the program with 
-  
-  LINK xxx,FIT4_SHR/OPT 
-  
-and start your program with 
-  
-  RUN xxx 
-  
-  
-Related keywords: init     (inititalisation of user function) 
-                  function () 
-                  cinfo    (how to speed up complex fit functions) 
-
-

-User function initialisation 
-  
-You have to call FIT_USERFUN to define title and function reference, and 
-you have to call FIT_USERPAR to define the name of each parameter. 
-Short name of variables can be given before long name, separated by 
-a colon ':'. 
-  
-Call FIT_MAIN afterwards to switch to fit command mode. 
-  
-If you want to keep control by program, you can call almost 
-every command (prefix FIT_, i.e. for plot you call FIT_PLOT). 
-In that case you must call FIT_INIT before calling other subroutines. 
-  
-Short help is available under the name of the subroutine. 
-
-

-You have to program a user function, whitch will be called from three 
-different places within FIT: 
-  
-1.  when command FUN is called or a new function is loaded: 
-    MODE=-1 
-    all other arguments are undefined 
-  
-2.  before each calculation of Chi-Square, i.e. before each Fit-Step: 
-    MODE=1 
-    X=0.0 
-    N:       number of parameters 
-    P(1..N): parameters 
-    CINFO:   Info about changed parameters (See Topic CINFO) 
-  
-3.  for each point of Dataset(s) and when plotting function: 
-    MODE=0 
-    X:       X-value 
-    N:       number of parameters 
-    P(1..N): parameters 
-    CINFO:   Dataset number or curve number 
-
-

-how to speed up complex fit functions 
-  
-this section is useful only, if the main part of the calculation 
-does not depend on X, i.e. matrix diagonalisation 
-  
-- split your calculation into several parts 
-- the subroutine FIT_USERCINFO(CINFO) determine the dependencies of the 
-  calc. parts and the parameters. The integer CINFO is a bit map, where 
-  each bit corresponds to a part of the calculation. The bit should be 
-  set if the part depends on the parameters named in the following calls 
-  to FIT_USERPAR. 
-- The integer CINFO within the fit user function determines, which 
-  part of the calculation has to be redone (corresponding 
-  bit set) and which part remains unchanged (bit clear) 
-
-

-For example for automatic fitting of many files, you probably want 
-to call the fit-commands from a FORTRAN program. Before any call 
-to the FIT subroutines you have to call FIT_INIT. 
-  
-                        for instructions on compile and link see topic build 
-  
-Explanations for the topics below: 
-  
-Specified arguments:   Call with specified arguments. 
-Default arguments:     For unspecified arguments, the subroutine uses 
-                       default values. 
-Ask for arguments:     The subroutine asks for unspecified arguments. 
-                       If you want to start your program in batch 
-                       mode you normally have to avoid these calls. 
-  
-Available routines (use routine name as help keyword): 
-------------------------------------------------------- 
-fitting:            fit_fit fit_sim fit_min fit_chisq 
-                    fit_pri fit_err fit_epsi fit_vtest 
-function definiton: fit_fun fit_newpeak fit_auto 
-parameter handling: fit_set fit_fix fit_rel fit_cor fit_get_array 
-input / output:     fit_save fit_load fit_init fit_command fit_exit fit_range 
-                    fit_dat fit_link 
-data manipulation:  fit_win fit_mon fit_dat fit_link fit_subtract fit_merge 
-                    fit_auto_mon fit_multiply fit_add fit_abskor 
-                    fit_dat_put fit_bgedit fit_keep 
-                    fit_include fit_exclude 
-                    fit_get_array, fit_get_real, fit_get_str 
-                    fit_put_array, fit_put_real, fit_put_str 
-plot:               fit_plot fit_scale fit_rsc fit_bars fit_connect fit_title 
-                    fit_file 
-user commands:      fit_usercmd 
-                    arg_check_cmd arg_str arg_real arg_int arg_par arg_lit 
-library routines:   str_upcase, str_trim, str_append 
-                    sys_get_cmdpar, sys_setenv, sys_getenv 
-
-

-Specified arguments        Default arguments     Default value 
--------------------------------------------------------------- 
-CALL FIT_FIT(n)            CALL FIT_FIT(0)       n=1000 
-CALL FIT_SIM(n)            CALL FIT_SIM(0)       n=1000 
-CALL FIT_MIN(n)            CALL FIT_MIN(0)       n=1000 
-CALL FIT_PRI(n)            CALL FIT_PRI(0)       n=0 
-CALL FIT_ERR(err)          CALL FIT_ERR(0)       err=0.5 
-CALL FIT_EPSI(eps)         CALL FIT_EPSI(0)      eps=0,1*err 
-CALL FIT_VTEST(v)          CALL FIT_VTEST(0)     vtest=0.01 
-  
-CALL FIT_CHISQ(chisq, istat)    get chi square and fit success status 
-  
-     INTEGER n, istat 
-     REAL err,eps,v, chisq 
-  
-
-

-Specified arguments        Default arguments        Default value 
------------------------------------------------------------------- 
-CALL FIT_SET(i,p,e,l,u)    CALL FIT_SET(i,p,e,0,0)  l=0,u=0: no limit 
-CALL FIT_LIM(i,l,u) 
-CALL FIT_FIX(i) 
-CALL FIT_REL(i) 
-CALL FIT_COR(i,j,f,c)      CALL FIT_COR(i,j,0,0)    f=1.0, c=0.0 
-  
-     INTEGER i, j 
-     REAL p, e, l, u, f, c 
-
-

-Get and put parameters and or data 
-  
-CALL FIT_GET_ARRAY(name, array, ndim, nret) 
-where: 
-     INTEGER ndim                ! dimension (input) 
-     REAL array(ndim)            ! resultant array (output) 
-     INTEGER nret                ! array length returned (output) 
-     CHARACTER*(*) name          ! name of array 
-                            ! 'P': fit parameter, 'E': parameter error 
-                            ! 'X','Y': data, 'S': data error, 'W': data weight 
-  
-CALL FIT_PUT_ARRAY(name, array, nlen) 
-where: 
-     INTEGER nlen                ! length of array (must match length of data) 
-     REAL array(nlen)            ! array (input) 
-     CHARACTER*(*) name          ! name of array 
-                            ! 'X','Y': data, 'S': data error, 'W': data weight 
-                            ! to change parameters use subroutine FIT_SET 
-  
-CALL FIT_GET_REAL(name, value) 
-CALL FIT_GET_STR(name, l, str) 
-CALL FIT_PUT_REAL(name, value) 
-CALL FIT_PUT_STR(name, str) 
-where: 
-     REAL value          ! value to get or put 
-     INTEGER l           ! string length returned 
-     CHARACTER*(*) str   ! value to get or put 
-     CHARACTER*(*) name  ! call INFO 99 to see what variables are available 
-
-

-User defineable commands 
-  
-CALL FIT_USERCMD(cmds)        ! install command dispatch routine 
-  
-logical fucntion to check command: 
-ARG_CHECK_CMD(command, len)   ! check for command (significant length: len) 
-  
-subroutines returning arguments: 
-  
-CALL ARG_REAL(value, default) ! get a real value argument from command line 
-CALL ARG_INT(value, default)  ! get an integer value argument from command line 
-CALL ARG_PAR(value)           ! get a parameter name/number as argument from .. 
-CALL ARG_LIT(string)          ! get a name as argument from command line 
-CALL ARG_STR(string)          ! get remaining arguments as string from comm... 
-  
-Usage: 
-    external cmds 
-    call fit_usercmd(cmds)    ! call this within main module, after fit_init 
-  
-    subroutine cmds(done)         ! subroutine to define 
-    logical done 
-  
-    if (arg_check_cmd('DAT', 3)) then 
-      ... treat command dat ... 
-      done=.true. 
-    elseif (arg_check_cmd('PLOT', 1)) then ! P is accepted as well 
-      ... treat command plot ... 
-      done=.true. 
-    endif 
-    end 
-
-

-Specified arguments        Default arguments        Ask for arguments 
---------------------------------------------------------------------- 
-CALL FIT_DAT(filename)                              CALL FIT_DAT(' ') 
-CALL FIT_WIN(xmin, xmax)   CALL FIT_WIN(1.,1.) (= max. window) 
-                                                    CALL FIT_WIN(0,0) 
-  
-CALL FIT_MON(m)                                     CALL FIT_MON(0) 
-CALL FIT_USEMON(m)                                  CALL FIT_USEMON(0) 
-CALL FIT_LINK(filename)                             CALL FIT_LINK(' ') 
-CALL FIT_SUBTRACT(filename)                         CALL FIT_SUBTRACT(' ') 
-  
-CALL FIT_RANGE(r1, r2, filenames) ! attention: r1, r2 are REALs 
-  
-CALL FIT_MERGE(step)       CALL FIT_MERGE(0.0) 
-CALL FIT_AUTO_MON                adjust monitor after a FIT_MERGE 
-  
-CALL FIT_MULTIPLY(scale,0)       one scale factor for all data 
-CALL FIT_MULTIPLY(scale,n)       scale is an array of factors for each dataset 
-  
-CALL FIT_ABSKOR(mur,ri)                             CALL FIT_ABSKOR(0.0,0.0) 
-CALL FIT_ABSKOR2(mur,ri,ra)                         CALL FIT_ABSKOR(0.0,0.0,0.0) 
-  
-CALL FIT_ADD(const,0)       const to add to all data 
-CALL FIT_ADD(const,n)       const is an array for constants for each dataset 
-  
-CALL FIT_BGEDIT(file) 
-  
-CALL FIT_EXCLUDE(x1,x2,y1,y2) 
-  
-CALL FIT_INCLUDE(x1,x2,y1,y2) 
-  
-CALL FIT_KEEP('Y')                                  CALL FIT_KEEP(' ') 
-CALL FIT_KEEP('N') 
-
-

-Put new datapoints into FIT 
-  
-CALL FIT_DAT_PUT(mode, x, nx, y, ny, s, ns, w, nw) 
-where: 
-     INTEGER mode   ! 0: purge before, 1: link new dataset, 2: link to existing dataset 
-     INTEGER nx     ! nx=1: x-values are xx(1),xx(1)+1,xx(1)+2,...,xx(1)+(nx-1) 
-     INTEGER ny     ! number of data points 
-     INTEGER ns     ! ns=1: ss(1) <> 0.0: sigma values are ss(1) 
-                    !       ss(1) =  0.0: sigma values are sqrt(max(1.0,yy(i))) 
-     INTEGER nw     ! nw=1: weights are ww(1) 
-     REAL xx(nx)    ! x-values 
-     REAL yy(ny)    ! y-values 
-     REAL ss(ns)    ! sigma values 
-     REAL ww(nw)    ! weights 
-  
-! precondition: (ny>0) and (nx=ny or nx=1 or nx=2) 
-!           and (nx=ny or ns=1) and (nw=ny or nw=1) 
-  
-
-

-Specified/auto arguments        Ask for start parameters 
----------------------------------------------------------------------- 
-CALL FIT_FUN(0, 0, 0.0,0.0)                         Gaussian 
-CALL FIT_FUN(1, 0, 0.0,0.0)                         Voigtian 
-CALL FIT_FUN(0, 1, pos,poserr)                      Gaussian at given start pos 
-CALL FIT_FUN(1, 1, pos,poserr)                      Voigtian at given start pos 
-CALL FIT_FUN(2, n, par,err)     CALL FIT_FUN(2, 0)  Multi-Gaussian 
-CALL FIT_FUN(3, n, par,err)     CALL FIT_FUN(3, 0)  Multi-Voigtian 
-CALL FIT_FUN(4, 12,par,err)     CALL FIT_FUN(4, 0)  Gaussian+Voigtian 
-                                CALL FIT_FUN(5)     Crit. exponent 
-CALL FIT_FUN(6, 0, 0.0,0.0)                         Strange 
-CALL FIT_FUN(7, n, par,err)     CALL FIT_FUN(7, 0)  User function 
-CALL FIT_FUN(8, 0, 0.0,0.0)                         Plot only 
-  
-                                Ask for function and start parameters 
-                                ------------------------------------- 
-                                CALL FIT_FUN(-1, 0) 
-  
-CALL FIT_NEWPEAK 
-CALL FIT_AUTO 
-  
-where: 
-    REAL par(np), err(np), pos, poserr 
-    INTEGER n 
-
-

-Specified arguments        Default arguments      Ask for arguments 
------------------------------------------------------------------------ 
-CALL FIT_PLOT('Y')                                CALL FIT_PLOT(' ') 
-CALL FIT_SCALE(x1,x2,y1,y2) 
-                                                  CALL FIT_SCALE(0,0,0,0) 
-  
-                           CALL FIT_SCAL(1.,1.,y1,y2)   (auto x-range) 
-                           CALL FIT_SCAL(x1,y1,1.,1.)   (auto y-range) 
-CALL FIT_RSC (auto range) 
-  
-CALL FIT_BARS('Y')                                CALL FIT_BARS(' ') 
-CALL FIT_BARS('N') 
-CALL FIT_CONNECT('Y')                             CALL FIT_CONNECT(' ') 
-CALL FIT_CONNECT('N') 
-CALL FIT_PLOG(log,shift) ! log=0,1 
-CALL FIT_TITLE(title)                             CALL FIT_TITLE(' ') 
-CALL FIT_FILE(xstep, filename)                    CALL FIT_FILE(0,' ') 
-
-

-Specified arguments    Ask for filename 
---------------------------------------- 
-CALL FIT_PRINT(1)                   (equivalent to command FCN) 
-CALL FIT_PRINT(0)                   (print variable parameters) 
-                       CALL FIT_LIST 
-                       CALL FIT_OUT 
-
-

-Specified arguments        Ask for arguments 
--------------------------------------------- 
-CALL FIT_SAVE(filename)    CALL FIT_SAVE(' ') 
-CALL FIT_LOAD(filename)    CALL FIT_LOAD(' ') 
-CALL FIT_EXPORT(step, type, filename)   (auto step: step=0) 
-  
-CALL FIT_INIT                        (has to be called first) 
-CALL FIT_COMMAND(filename)           (equivalent to command @filename) 
-CALL FIT_COMMAND('  ')               (switch to interactive mode) 
-CALL FIT_EXIT 
-
-

-CALL FIT_USERFUN(title,function)  define user function (has to be called 
-                                  before FIT_USERPAR 
-CALL FIT_USERPAR(name)            define user parameter name (call once 
-                                  for each parameter) 
-CALL FIT_USERCINFO(mask)          define user calculation info mask for 
-                                  following calls to FIT_USERPAR 
-CALL FIT_MAIN                     start fit command mode 
-
-

-CALL STR_UPCASE(out, in)           convert to upper case 
-CALL STR_TRIM(out, in, length)     determine string length without trailing space 
-CALL STR_APPEND(inout, length, in) append in to inout(1:length) 
-  
-CALL SYS_GET_CMDPAR(out, length)   get command line parameters 
-CALL SYS_SETENV(name, value)       set environment variable 
-CALL SYS_GETENV(name, value)       get environment variable 
-
-

-Within the graphic window, you hit a key for a command: 
-  
-Command        Shortcut 
-  
-Print          P     Printing Graphics 
-Insert         I     Insert peak at the actual x/y position. 
-                     the halfwidth is determined automaticaly. 
-                     (BGEDIT: insert point) 
-Delete         D     Delete peak (BGEDIT: delete point) 
-Repaint        R     Repaint graph 
-Zoom in        Z     Zoom in*. 
-Zoom out       O     Zoom out by a factor 2:1 
-Jump           J     Center graph at cursor position without changing scale 
-max.Scale      X     Automatic scaling (observed data fits the data window) 
-Window         W     Set fit window* 
-Exclude        E     Mark excluded region* 
-Include        N     Mark region to re-include* 
-Log/Lin        L     Switch between log and lin 
-Colors         C     Switch between colors and b/w 
-Show Coord.    S     Show (X,Y) value of cursor 
-Quit           Q     Leave graphic user-interface 
-  
-* move to the first corner, click the correspoding key, move to the second 
-  corner, press the key again. If you want to perform the command only in one 
-  dimension, move to locations below the x-axis or left to the y-axis. 
-
-

-Version 2.0 
-- FIT saves all parameters and the data file name on exit. 
-- You can now enter directly to command mode by pressing RETURN at the 
-    first prompt. 
-- The parameters of most commands can now be passed directly via 
-    command line. 
-- Command line editing (recall of previous 20 commands). 
-- Command-files can be executed. 
-- Old command WIN is now separated into the commands WIN, MON and BARS. 
-- New command MIG (call migrad only) 
-- Abort of fit algorithm by pressing  (return to command level). 
-- All commands of FIT are now callable FORTRAN subroutines. 
-- Enhanced user fit-function definition. 
-- Extended HELP 
-  
-Version 3.0 
-- All peak functions (Gaussian, Lorentzian, Voigtian) have now the same 
-    parameters and switching between them can be done by changing parameters 
-    (If fwhm L = 0: Gaussian, if fwhm G =0: pure Lorentzian, else Voigtian) 
-- Graphics package is changed from PLOT10 to GRAPHX. FIT runs now on most 
-    graphic devices, including X-Window. 
-- Graphic user-interface: zoom, edit peaks, create new peaks, delete peaks. 
-- New peaks can be created by command NEWPEAK 
-- Peaks can be deleted by setting intensity to 0 
-- New command CHOOSE (printer options) 
-- COR i1,i2,f no longer has the restriction i1>i2 
-  
-Version 3.3 
-- Load multiple data files 
-- Command LINK to load additional data 
-- Data from different files are plotted with different symbols 
-- Command MERGE to add points with same X-value 
-- New data file types available: IN3, D1A5, D1A6, 3-column 
-  
-Version 3.5 
-- MULtiply data with scale factor 
-- SUBtract datafiles 
-- D2B-files readable 
-  
-Version 3.6 
-- Data can be saved as DMC or D1A format 
-     use command SAVE with extension .DMC (or .D1A respectively) 
-- Command ABSKOR for absorption correction 
-- Parameter can be given as name instead of number (Example: FIX P1 = FIX 3) 
-- Short form for SET command. Example:  G1=0.4 
-- Command STYLE to set marker symbols or to connect points 
-- Enhanced output for Mac Plot Software (Kaleidagraph, ProFit...) 
-     use command FILE TT and Copy-Table in VersaTerm 
-- New command AUTO: determine start-values for Gaussian Fit without loosing 
-     FIX and COR settings. 
-- Bug corrected: Sometimes fit was not correct and errors were very small 
-     after a DAT command. This is now corrected. 
-  
-Version 3.7 
-- Command CONNECT Y to connect data points 
-  
-Version 4.0 
-- Now available on Digital Unix 
-- PGPLOT Graphics package instead of GRAPHX 
-  
-Version 4.1 
-- Background editing command BGEDIT (replaces GEDIT program) 
-- Export command (actually supporting DMC and D1A datafile type) 
-- Enhanced Fortran-Interface 
-  
-Version 4.2 
-- ADD a constant do data 
-- new data types: INX, CCL 
-- RANGE command for 2D data and multi-dataset files like INX or CCL 
-- subroutine FIT_DAT_PUT: load data from memory of calling program 
-- subroutines FIT_GET_ARRAY, FIT_GET_REAL and FIT_GET_STR: inquire data 
-    and parameters 
-- subroutines FIT_PUT_ARRAY, FIT_PUT_REAL and FIT_PUT_STR: modifiy data 
-- subroutine FIT_USERCMD: plug-in commands 
-- subroutine FIT_DAT_MERGE: fit_dat and fit_merge in one command 
-    (to avoid memory overflow) 
-- made available some library soutines: STR_UPCASE, STR_TRIM, STR_APPEND 
-    SYS_GET_CMDPAR, SYS_SETENV, SYS_GETENV 
-- subroutine FIT_VERS: get actual version 
-  
-Version 4.3 
-- new commands EXCLUDE, INCLUDE: excluded regions 
-- new command KEEP: persistent fit-window (select if fit window and 
-    excluded regions are kept on DAT command) 
-  
-Version 4.4 
-- new commands PLOG and PLIN for logarithmic plots and shifted 
-  datasets 
-- new commands LEGEND and COLORS 
-- can read RITA single detector files 
-  
-Version 4.5 
-- absorption correction for hollow cylinders 
-- plot fullprof output files 
-- new command TRANS (transform x-axis between 2theta/d/q for powder diffraction) 
-- more options for calibration of powder diffraction data 
-- user function may be folded with gaussian (example: program BOSE) 
-- can read HDF5 files (TriCS NeXus files) 
-
diff --git a/rhel7/libreadline.so b/rhel7/libreadline.so deleted file mode 120000 index e1c0d5f..0000000 --- a/rhel7/libreadline.so +++ /dev/null @@ -1 +0,0 @@ -/usr/lib64/libreadline.so.6 \ No newline at end of file diff --git a/rhel7/src b/rhel7/src deleted file mode 120000 index d20e0bc..0000000 --- a/rhel7/src +++ /dev/null @@ -1 +0,0 @@ -/afs/psi.ch/user/z/zolliker/public/fit/src/. \ No newline at end of file