The Gnu Xtal System User's Manual
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3.18. CRISP: Well baked structural solution

invarcontrol structure invariant relationships used
selectcontrol starting phase selection process
refineparameters controlling tangent refinement process
setfominput figure-of-merit parameters
onlyrequest specific phase sets from an extended run

CRISPOption CodeArg Def
 data set number dset n  1
 optimization level optim n 0-3 depth of study2
 output listing list n 0-5 depth of study0
 total phase sets trial n random phase sets64
 best phase sets best n look in depth at1
 minimum E value emin n from .inv file 
 max generators rmax n from .inv file 
 start from bdf phases pbdf  progressively randomize with each set 
 trial 1000 psets xxxx  check best 10 
 go for broke zzzz  check best every 500 

invar1invariant types to be used in the phasing process   
  use triplet and quartet invariants all   
  use triplets only trip   
  use quartets only quar   
 2minimum A of triplets used  from file .inv
 3minimum B of quartets used  from file .inv
 4maximum triplets allowed per generator  100
 5maximum quartets allowed per generator  100
 6reduce A and B values by this fraction of A and B  1
 7control eligible quartets according to X-vector sum   
  include quartets withXVsums<LO or >HI parxv   
  include all quartets allxv   
  include quartets with X-vectors inthe data sphere insxv   
  include only quartets with X-vectorsout of sphere outxv   
  use negative quartets actively active   
 8lower limit for cross-vector sums - LO  25% of max to 2.5
 9upper limit for cross-vector sums - HI  75% of max to 4.0
 10invariant applied to negative quartets (in degrees) if no fragment estimate180
    otherwise0

select9starting weight for phases assigned in random mode0.25
 10integer used to seed random phase generator 1137
 11integer used to seed random phase generator 213804

refine3maximum number of refinement iterations30

setfom1control flag for pretest of FOM values   
  pretest FOM values after the 6th tangent iteration pret   
  do not pretest FOM values nopr   
 2optimum RFOM value for CFOM/AMOS calculation  1.0
 3optimum RFAC value for CFOM/AMOS calculation  0.25
 4optimum PSI0 value for CFOM/AMOS calculation  1.5
 5optimum NEGQ value for CFOM/AMOS calculation  60
 6weight of RFOM value for CFOM/AMOS calculation  1
 7weight of RFAC value for CFOM/AMOS calculation  1
 8weight of PSI0 value for CFOM/AMOS calculation  2
 9weight of NEGQ value for CFOM/AMOS calculation  2
 10automatic termination of multi-solution process  yes
  continue even if FOMs < optimal FOMs cont   
 11RFOM lower rejection limit for 014 and 024  0.25

only[a]1 - 35request specific phase set numbers to look at in detail 
Notes:
a. Generally used after terminating a CRISP ZZZZ list 3 run, having spotted some interesting phase sets that may be worth further in depth study.

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