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OUTPUT[1],OUTPUT[2],...

*.par files, output of EFLECH, must contain covariance matrices

Minlattice,Maxlattice

Each one of Cubic, Hexagonal, Tetragonal, Orthorhombic, Monoclinic, Triclinic. Defaults are Minlattice=Cubic, Maxlattice=Triclinic.

Testlattice

For development purposes: If you know the solution, you can check it to be the true minimum solution. Give the needed values of ALPHA, BETA, GAMMA, A, B, C, BASIS. In the cases of Hexagonal, Tetragonal and Monoclinic lattice, uniqueAxis=c is assumed.

PHASE

If not set (which is the default), only peaks of the *.par-files without PHASE=... identificator are used for indexing. If PHASE=... is set in the *.sav file, then only the peaks identified by this PHASE=... are used for indexing.

PARAM[1]=EPS1...

Equivalent to BGMN, INDEX searches for best possible adjustment parameters EPSi together with unit cell parameters. Due to the restricted angular range, only EPS1 is recommended for bad adjusted measurements.

ignore

Introduced in level 3.3.32. Enables exclusion of pollution peaks. For example by

    ignore=5/10%
    

index will ignore up to 5 peaks of maximum 10% pollution content. If not set in the control file, INDEX choses some default values itself. Computation will stay around double the time compared to ignore=0 (no ignore feature), and you must set ignore=0 in the control file in case you want to disable this new feature. You may specify values different from the defaults, too. INDEX reports about the default/used values.

LAMBDA

specifies a wavelength file as used by EFLECH, for example LAMBDA=CU selects the file cu.lam for the wavelength distribution (profile of the K alpha doublet) and cu.ano for the corresponding anomalous dispersion.

SYNCHROTRON

same as LAMBDA, but switches on some specialities for synchrotron radiation (for example EFLECH searches for narrow lines). Knows an extended form as

    SYNCHROTRON=0.079776
    

for specifying an ideal narrow (delta-peak) wavelength distribution at the given wavelength in Nanometers. Then, no anomalous dispersion may be specified.

Internal restrictions:

/* Constants as to be published */
/* Additional random angular error, degree in 2 Theta */
#define ADDFEINBREIT 0.01
/* Maximum lattice constant in nm */
/* fein.peakarray[0] holds the first reflection (sorted by 1/d) */
/* therefore fein.peakarray[0].s holds the minimum measured 1/d value */
#define MAXG max(5.0,2.0/fein.peakarray[0].s)
/* If possible by the measured angular range, */
/* the pre-scan angular range must reach this 1/d value. */
/* Lattice constants (in nm) may go down to the inverse of this value */
#define MINSCANSMAX  minscansmax(lattice)
static double minscansmax(LATTICE lattice){
  switch(lattice){
  case KUBISCH:
  case HEXAGONAL:
  case TETRAGONAL:
  case ORTHORHOMBISCH:return 6.0;
  case MONOKLIN:return 4.2;
  case TRIKLIN:return 3.7;
  }
}