(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2005). E61, i275-i277 [ doi:10.1107/S1600536805036731 ]

Potassium magnesium hydrogendiphosphate dihydrate

B. El Bali, A. Alaoui Tahiri, M. Lachkar, M. I. Arriortua and M. K. Urtiaga

Online 19 November 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (g-O) = 0.002 Å
R factor = 0.033
wR factor = 0.089
Data-to-parameter ratio = 17.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.94       

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           31.89
           From the CIF: _diffrn_reflns_theta_full          31.89
           From the CIF: _reflns_number_total               1353
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         1434
           Completeness (_total/calc)             94.35%
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion