[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o236
[ doi:10.1107/S1600536813000822 ]

Glycine-D-tartaric acid (1/1)

T. Mohandas, C. R. D. Inbaseelan, S. Saravanan and P. Sakthivel


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.24 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.3
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 34.97 From the CIF: _reflns_number_total 3282 From the CIF: _diffrn_reflns_limit_ max hkl 7. 12. 29. From the CIF: _diffrn_reflns_limit_ min hkl -7. -14. -27. TEST1: Expected hkl limits for theta max Calculated maximum hkl 7. 14. 32. Calculated minimum hkl -7. -14. -32. PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C2 H5 N O2 PLAT793_ALERT_4_G The Model has Chirality at C2 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C3 (Verify) .... R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 624 PLAT952_ALERT_5_G Reported and Calculated Lmax Values Differ by .. 3
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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