TITLE Refining cycles only

RESO 15.0 2.7

CENTRIC

SCALE SIGFP 1.0 0.0

CYCLE 15

THRES 2.5 0.5

ANGLE 10

PRINT AVF AVE MON 1000

LABIN FP=FTOXD3 SIGFP=SIGFTOXD3 -

      FPH1=FAU20 SIGFPH1=SIGFAU20

LABOUT ALLIN PHIB=PHI_step1 FOM=FOM_step1

FHOUT DERIV 1   ! For double difference map.

 DERIV AU20 1st Site

 DCYCLE PHASE ALL REFCYC ALL KBOV ALL

 RESO 10.0 2.7

! ISOE     1575.10 1685.89 1100.50  959.22 1019.41 1069.37  938.56  708.38

! ANOE       95.00  338.73  348.88  326.07  288.25  273.30  296.62  242.99

 ATOM   AU    0.1758  0.1016 -0.10  1.00  BFAC   25.000

 ATREF X ALL Y ALL Z ALL OCC ALL 

END