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Acta Cryst. (2005). E61, o2739-o2742  [ doi:10.1107/S1600536805023688 ]

L-Cysteine-I at 30 K

S. A. Moggach, S. J. Clark and S. Parsons

Online 30 July 2005


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 10.00 Ratio
Author Response: See text (last paragraph of comment section).

Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 30.80 From the CIF: _reflns_number_total 1516 Count of symmetry unique reflns 979 Completeness (_total/calc) 154.85% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 537 Fraction of Friedel pairs measured 0.549 Are heavy atom types Z>Si present yes
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 1 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 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

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