2.14                      *******************
                                  * CMBISO WRITE-UP *
                                  *******************
        
           CMBISO is an interactive program to merge native data with
        derivative isomorphous replacement data.  It is used to prepare a
        "merged" file for  PHASIT to phase by the isomorphous replacment
        method, to make an input file for TOPDEL to create difference
        Patterson coeficients, to make input files for MRGDF for cross
        Fouriers and to make input files for GREF for refining heavy atom
        sites against isomorphous differences.  The program is interactive
        and prompts for the names of input and output files, and whether or
        not one wants to include additional non-Wilson scaling corrections. 
        The program matches up all derivative reflection data with the 
        corresponding native data, scales the derivative data to the native, 
        ond outputs merging R factor statistics and statistics regarding the 
        isomorphous differences. The reflections need not be indexed 
        identically in both input files as symmetry information is used to 
        match up the data. Each input data set however, should contain only 
        unique reflections. Note that Friedels law is assumed to hold when 
        matching up the data. The data sets are initially scaled by computing
        a relative Wilson plot, and applying scale and thermal corrections
        derived from it. The user is then asked whether additional non-Wilson
        scaling should also be done. If it is, then the user is asked whether 
        anisotropic or local scaling should be done. If anisotropic scaling
        is requested, the reciprocal lattice vectors are orthogonalized and
        the elements of a symmetric 3x3 scaling tensor are refined by two
        cycles of least squares. The anisotropic scaling is then applied to
        all of the derivative reflections, and the tensor elements are
        printed out. For an isotropic distribution the diagonal elements
        should be 1.0 and the off diagonal elements zero. Thus deviations
        from these quantities indicate the degree of anisotropy. If local
        scaling is requested, then a scale factor for each reflection is
        determined by a least squares fit of the F's for all neighboring
        reflections within a given sphere radius to the corresponding native
        F's, neglecting the central reflection to be scaled. For each
        reflection the sphere radius is initially chosen to encompass about
        125 reflections, and the derived scale factor is accepted if at least
        80 neighbors are found. If needed, the sphere radius will be
        incrementally adjusted until either a preset maximum is reached, or
        80 neighbors are found. If the maximum is reached, then the scale
        factor will still be accepted if 40 neighbors are found. If not,
        the program will stop and indicate that the data set is too sparse
        for meaningful local scaling. The mean and minimum number of
        neighbors used is then listed. For both anisotropic and local
        scaling, the minimum and maximum scale factors that were applied are
        listed.
        
        
                                   ***** FILES *****
        
        Each input file must contain records with Miller indices and the 
        corresponding reflection data values. The files however, can be one
        of three types. If the file name ends with ".MU" or ".mu", then it
        is assumed to be a "MULIST" i.e. a file generated by program MAKEMU
        (in the XENGEN system) or by program FBSCALE. In that case each 
        record is assumed to contain
        
        H, K, L, RES, F, Sig(F), F+, Sig(F+), F-, Sig(F-), Iflag
        
        in format  (3I4, 1X, F6.4, 6(1X, F8.2) 1X, I2 ). Only the indices, F
        and Sig(F) are used. The "Iflag" parameter may be absent.
       

        If the filename ends with ".SCA" or ".sca", then a SCALEPACK
        file is assumed. After a variable number of header records
        (see the FILE FORMATS section), reflection records follow and
        contain

        H, K, L, I+, sig(I+), I-, sig(I-)

        in format (3I4, 4F8.1)

        Note the use of intensities rather than F's. The last two items
        in each record may be omitted. If present, they would be used
        only if I+ was not measured.

 
        If the file name does not end in ".MU", ".mu", ".SCA" or ".sca"
        each record is assumed to contain
        
        H, K, L, F, Sig(F)
        
        and is read in free format, i.e. each item must be separated by at 
        least one space or a comma. The indices must be INTEGERS and the F and 
        Sig(F) values REALS.
         
        
        The output file contains records with
        
        H, K, L, FP, Sig(FP), FPH, Sig(FPH)
        
        in format ( 3I4, 4F10.2). The last 2 quantities are rescaled to match 
        the native data set. This file is suitable for input to PHASIT using 
        the ISOFLG=0 option, or for input to MRGDF to prepare coefficients for 
        difference or cross difference Fouriers.