(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o771-o773 [ doi:10.1107/S1600536804007883 ]

(2-Methylphenoxy)acetic acid

P. J. Cox and G. Hickey

Online 17 April 2004

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.004 Å
R factor = 0.078
wR factor = 0.230
Data-to-parameter ratio = 11.3

checkCIF/PLATON results

No syntax errors found



Alert level A
REFLT03_ALERT_3_A  Reflection count < 85% complete (theta max?)
           From the CIF: _diffrn_reflns_theta_max           27.49
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               1304
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         1844
           Completeness (_total/calc)             70.72%
PLAT022_ALERT_3_A Ratio Unique / Expected Reflections too Low ....       0.71       
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.71       

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

   0 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
   3 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion