2.2.2- "Automatic" indexing

PROGRAMS :

[2]   AUTOX     (=MRIAAU) V. Zlokasov, J. Appl. Cryst. 25 (1992) 69-72.
[2]   BH        By Hand
[5]   CSD       Package (Akselrud, Grin, Zavalii, Pecharski, Fundamentski)
[42]  DICVOL    (Louër & Louër, Louër & Vargas, Boultif & Louër).
[14]  ED        electron diffraction.
[17]  FZON      (Visser)
[72]  ITO       (Visser)
[1]   LATTPARM  (Visser) (Garvey)
[1]   POWDER
[2]   PROSZKI   (Lasocha & Lewinski)
[1]   TAK       indexing program of Takaki.
[111] TREOR     (Werner)
[1]   UNITCELL  (Visser)(Garvey)
[1]   Stoe package
[1]   YAO

[21]  KNOWN     Already known
[1]   Guessed
[2]   Analogy
 
 

Three main programs emerge :

TREOR [111],
ITO and variants [91]
and DICVOL [42].






The strategy applied to the samples
in this scenario was generally  :

We will see the results of this general strategy as applied to the experimental cases retained in this scenario  :

Na2C2O4
[Pd(NH3)4]Cr2O7
t-AlF3
beta-BaAlF5
Cimetidine C10H16N6S