FILE FORMATS
 MADSYS handles all data files in formatted files.
 1. Input for F2ANO, or FA
   Any file from a data scaling program that contains non-merged reflections
   with following entries:
   original (non-reduced) h,k,l,batch/plate number,intensity,sigma(intensity).
   The format of this file can be specified by the 'format' keyword with a
   standard Fortran statement (e.g. format 3i5,i6,2f10.3). If you use 
   SCALEPACK (use 'NO MERGE ORIGINAL INDEX' option) or CCP4 (a version of 
   AGROVATA I modified to output non-merged reflections with non-reduced 
   indices in a formatted file called 'AGRO_OUT'), you can specify the format
   by using 'format scalepack' or 'format ccp4'. 
 2. Output from F2ANO, ANOSCL, Input for ANOSCL, ANORES, ANOMERGE, WVLSCL
   original h,k,l,iano,igrp,isym,s,fp,sp,fm,sm (6i4,f10.6,4f10.3)
   iano: 1 acentric reflections with both geometry-related Bijvoet measurements
         0  centric reflections with both geometry-related measurements
         2 acentric reflections with one measurement only
        -1  centric reflections with one measurement only
   igrp: group/orientation number for this reflection, set in F2ANO when 
         dividing reflections into groups from their batch numbers (see keyword
         'batch_group').
   isym: the symetry matrix number that can put the original index into reduced
         index for that reflection.
   both igrp and isym are used as flags in pairing and scaling(?), although 
   reflections with same igrp and isym are also allowed.
   s: sin(theta)/lambda, or 1/2d (d as reciprocal spacing, or resolution)
   fp,sp: reflection amplitude and sigma(amplitude) for one side of the mirror 
          plane in MIRROR geometry, or for 'direct' block in INVERSE BEAM 
          geometry.
   fm,sm: reflection amplitude and sigma(amplitude) for other side of the mirror
          plane in MIRROR geometry, or for 'inverse' block in INVERSE BEAM 
          geometry.
   fp or fm will be set to -1.0 and sp or sm to 0.0 when one of the measurements
   is missing.
 3. Output from WVLSCL, Input for MADLSQ, MADABCD
   reduced h,k,l,s,igrp,isym,(iano(i),fp(i),sp(i),fm(i),sm(i),i=1,nlambda)
   (3i4,f10.6,2i4,nlambda(i4,4f10.3))
   s, igrp, isym, fp, sp, fm, sm: see previous description.
   iano: essentially the same as described above, execept that when both fp 
         and fm are missing for a particular wavelength, iano for that
         wavelength is set to 99.
 4. Output from MADLSQ, Input for MERGIT
   reduced h,k,l,iano,igrp,isym,s,fz,sz,fa,sa,delphi,sphi,quart
   (6i4,f10.6,4f10.3,3f8.3) 
   igrp, isym, s: see previous description
   iano: 0 for centric reflection
         1 for acentric reflection
         2 for acentric reflection that failed to be phased by MADLSQ
        -2 for centric reflection that failed to be phased by MADLSQ
   fz: derived Ft or Fn with no anomalous scattering
   sz: estimated sigma of fz
   fa: derived Fa with no anomalous scattering
   sa: estimated sigma of sa
   delphi: phase(fz)-phase(fa)
   sphi: estimated sigma of delphi
   quart: residual of MADLSQ fitting, defined as sqrt(sum(Fo-Fc)**2/nobs)
 5. Output from MERGIT or FA, Input for MADFAZ
   reduced h,k,l,max(ibad),s,wtfz,ssz,wtfa,ssa,wtdf,ssf
   (4i4,f10.6,4f10.3,2f8.3)
   s: seem previous description
   ibad: For individual MADLSQ solutions:
         0 good reflection
         1 fa<=0.0 or fa>=famax
         2 failed to be phased by MADLSQ
         3 sphi>=pmax
         4 quart>=qmax
         5 fa>=acof*exp(-bfac*s**2) (acof and bfac defined by faflag)
         6 fz<=sz*zcut (zcut: sigma cut for fz)
         7 fa<=sa*acut (acut: sigma cut for fa)
         During merging, in the presence of reflections with ibad=0, only those
         are used; in the presence of reflections without ibad=0 but with 
         ibad=6-7, everything with ibad=5-7 are used; in the absence of 
         reflections with ibad=0 and 6-7, those with ibad=4-5 are used for
         calculating wtfa,ssa,wtdf,ssf, those with ibad=1-5 are used for 
         calculating wtfz,szz. In each case, max(ibad) for the used reflections
         is reported.
   wtfz, wtfa, wtdf: weighted and averaged values of fz, fa and delphi from
                     redundant solutions in MADLSQ.
   ssz, ssa, ssf: estimated sigma of the above values.
 6. Output from MADFAZ
   reduced h,k,l,max(ibad),s,wtfz,ssz,fig-merit,phase(wtfz)
   (3i4,i6,f10.4,2f9.2,f8.2,f8.1)
 7. Output from MADABCD   
   reduced h,k,l,wtfz,ssz,fig-merit,phase(wtfz),a,b,c,d
   (1x,3i3,2f10.2,f6.2,f8.2,4f10.4)
   a,b,c,d: Hendrickson-Lattman phase coefficients.