Data selected for autocalibration, to be entered in the ERACEL program :

 Na/COO   
0 10
1.54056 0.0
0 1
5.20 3.71 3.49 90. 90. 90.
1 1 1 0 0 0
1 0 0 16.940
0 1 0 23.965
0 0 1 25.523
2 0 0 34.366
0 2 0 49.157
0 0 2 52.518
0 3 0 77.249
0 0 0


Result :

PROGRAMME *** CELREF *** (J.LAUGIER & A.FILHOL 10/78)

------------------------------------------------------------------------
Na/COO 
------------------------------------------------------------------------

 NOMBRE D'OBSERVATIONS    :     7
 NOMBRE MAX. D'ITERATIONS :    10
 CONTRAINTES D'AFFINEMENT : NO   
 VALEURS INITIALES :
    ZERO    LAMBDA      A        B        C      ALPHA     BETA    GAMMA
      1.       0.       1.       1.       1.       0.       0.       0.
    .000    1.54056  5.2000   3.7100   3.4900   90.000   90.000   90.000
 MAILLE RECIPR. :    .19231   .26954   .28653   90.000   90.000   90.000
 VOLUME (A**3)  :    67.329

 NOMBRE DE PARAMETRES INDEPENDANTS :     4

0VALEURS FINALES   : (ECARTS TYPE : 2EME LIGNE)
 ### RAPPEL ### LES CONTRAINTES D'AFFINEMENT AGISSENT SUR LES
 PARAMETRES RECIPROQUES ET NON SUR LES PAPARAMETRES DIRECTS
    ZERO    LAMBDA      A        B        C      ALPHA     BETA    GAMMA
   -.038    1.54056  5.2042   3.6988   3.4773   90.000   90.000   90.000
    .003     .0000    .0014    .0004    .0006     .000     .000     .000
0MAILLE RECIPR. :    .19215   .27036   .28758   90.000   90.000   90.000
 VOLUME (A**3)  :    66.937

0   H     K     L  TH(OBS)    TH-ZERO    TH(CALC)     DIFF.

    1     0     0    8.470      8.508      8.512      -.004
    0     1     0   11.983     12.020     12.020       .000
    0     0     1   12.762     12.799     12.798       .001
    2     0     0   17.183     17.221     17.219       .002
    0     2     0   24.579     24.616     24.614       .002
    0     0     2   26.259     26.297     26.297      -.001
    0     3     0   38.625     38.662     38.664      -.002
0SQRT(SUM(TH O-C)**2)/(NREF-NPAR))*1000 =      .0548
 FACTEUR R :      .0001
0   H     K     L     D(OBS)    D(CALC)

    1     0     0    5.2066      5.2042
    0     1     0    3.6987      3.6988
    0     0     1    3.4770      3.4773
    2     0     0    2.6018      2.6021
    0     2     0    1.8492      1.8494
    0     0     2    1.7387      1.7387
    0     3     0    1.2330      1.2329