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文言文铁杆木虫 (著名写手)
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想投晶体E，以下错误怎么修改？谢谢！
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各位虫友，大家好！本人想往晶体E投文章，有以下错误怎么修改？谢谢！ SHFSU01_ALERT_2_C The absolute value of parameter shift to su ratio > 0.05 Absolute value of the parameter shift to su ratio given 0.096 Additional refinement cycles may be required. PLAT080_ALERT_2_C Maximum Shift/Error ............................ 0.10 PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? 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 25.02 From the CIF: _reflns_number_total 2204 Count of symmetry unique reflns 1390 Completeness (_total/calc) 158.56% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 814 Fraction of Friedel pairs measured 0.586 Are heavy atom types Z>Si present yes PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K |
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xi2004
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