------mtz2vaious---------

mtz2various HKLIN ../Mtz/scaleit_PtMAD_L.mtz HKLOUT shelx.hkl <<+
LABIN DP=DANOL1   SIGDP=SIGDANOL1   
FSQUARED
!SCALE .0001
OUTPUT SHELX
RESOLUTION 20. 2.0  
!EXCLUDE DIFF 40 
EXCLUDE FPMAX 54.46
END
+

------mtz2vaious---------


------shelx.ins----------

TITL Pt_L      del(F)**2 in P212121
REM  Anomorphous delta-F data for 2 Sites 
CELL 1.0711    38.13   58.20   82.94   90.00   90.00   90.00
ZERR    1.00    0.001   0.001   0.001   0.00   0.00   0.00
LATT -1
SYMM   -X+1/2,  -Y,   Z+1/2
SYMM   -X,   Y+1/2,  -Z+1/2
SYMM   X+1/2,  -Y+1/2,  -Z
SFAC   N  PT
UNIT   75 8 
PATT 6  -8 2.5 ! usually better to try more than 2 superposition vectors
        ! change 'PATT 11' to 'TREF' to solve structure by Direct Methods
        ! vectors, dmin, resol
HKLF 4 
END
--------------------------