[交流] 【请教】请教无机晶体解析时的问题 已有2人参与

我的晶体是掺杂的钙钛矿结构，结果利用checkcif检查后发现一些错误，主要想请教一下各位专家怎样处理粗体字里的问题？本人经验尚浅，还请各位不吝赐教！ Alert level A PLAT088_ALERT_3_A Poor Data / Parameter Ratio ....................       3.29       PLAT043_ALERT_1_A Check Reported Molecular Weight ................     554.49       PLAT051_ALERT_1_A Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by .      84.21 Perc. PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing ..          ? PLAT053_ALERT_1_A Minimum Crystal Dimension Missing (or Error) ...          ? PLAT054_ALERT_1_A Medium  Crystal Dimension Missing (or Error) ...          ? PLAT055_ALERT_1_A Maximum Crystal Dimension Missing (or Error) ...          ? PLAT075_ALERT_1_A Occupancy       2.00 greater than 1.0 for ......        MN1       PLAT075_ALERT_1_A Occupancy       2.00 greater than 1.0 for ......         O1      PLAT078_ALERT_1_A No H-atoms, but _solution_hydrogens reported as        geom      PLAT079_ALERT_1_A No H-atoms, but _hydrogen_treatment reported as       mixed      PLAT122_ALERT_1_A No _symmetry_space_group_name_H-M Given ........          ?

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