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Acta Cryst. (2005). E61, o2053-o2054 [ doi:10.1107/S1600536805017605 ]
Online 10 June 2005
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Alert level A REFLT03_ALERT_3_A Reflection count > 15% excess reflns - sys abs data present? From the CIF: _diffrn_reflns_theta_max 25.00 From the CIF: _diffrn_reflns_theta_full 25.00 From the CIF: _reflns_number_total 2614 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 1313 Completeness (_total/calc) 199.09%
| Author Response: ...see _publ_section_exptl_refinement |
Alert level B PLAT021_ALERT_1_B Ratio Unique / Expected Reflections too High ... 1.99
Alert level C PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT431_ALERT_2_C Short Inter HL..A Contact Cl31 .. O23 .. 3.21 Ang.
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 2 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
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