Line 5
EPS, FOM, N_IMP, ZERO_S, ZERO_REF, OPTION
where
EPS |
= 0.0 = 1.0 0.0 < EPS < 1.0 |
The absolute error on each observed line is taken to 0.03º. 2θ (default value) whatever the spacing data type (ITYPE). The absolute error on each observed line is input individually from Line 6, after the observed 'd(i)' on the same line, according to the spacing data unit (e.g. 18.678 0.018 in 2θº). The absolute error is taken as a constant (= EPS) in 2θº, whatever spacing data type (ITYPE) (e.g. 0.02, which will apply to all input lines). |
FOM |
Lower figure of merit M(n) required for printed solution(s) (Default=0.0 M(n)=10.0). |
|
N_IMP |
Maximum number of impurity/spurious lines accepted among the first N lines (N_IMP takes into account both impurity lines and peak positions out of the input absolute angular error EPS).
If N_IMP < 0 the search starts with zero impurity lines, then, it continues with one impurity line, and so on until N_IMP impurity lines is reached. |
|
ZERO_S |
= 0 = 1 |
A priori search for a zero-point error in input data No Search Search If ZERO_S ne 0 or 1, then ZERO_S represents a known zero correction (e.g. -0.10) in 2θº. |
ZERO_REF |
= 0 = 1 |
No 'Zero-Point' Least-squares refinement 'Zero-Point' Least-squares refinement |
OPTION |
= 0 = 1 |
Dicvol04 option (optimized strategy search with decreasing cell volumes). Option with extended (exhaustive) search in volume domains containing mathematical solution(s) (longer cpu times). If OPTION is omitted, default is Dicvol04 |
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