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应助: 0 (幼儿园)
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帖子: 2374
在线: 88小时
虫号: 872099

[交流] 【求助】解决C,G级错误

Alert level C
PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) .....       10 Ang.
PLAT241_ALERT_2_C Check High    Ueq as Compared to Neighbors for       O1
PLAT241_ALERT_2_C Check High    Ueq as Compared to Neighbors for       C12
--------------------------------------------------------------------------------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          25.00
         From the CIF: _reflns_number_total             6904
         Count of symmetry unique reflns       3481
         Completeness (_total/calc)          198.33%
         TEST3: Check Friedels for noncentro structure
         Estimate of Friedel pairs measured    3423
         Fraction of Friedel pairs measured    0.983
         Are heavy atom types Z>Si present       yes
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites ....       3
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........       2
PLAT792_ALERT_1_G Note: The Model has Chirality at C9    (Verify)       S
PLAT792_ALERT_1_G Note: The Model has Chirality at C14 (Verify)       S
PLAT792_ALERT_1_G Note: The Model has Chirality at C18 (Verify)       S
PLAT792_ALERT_1_G Note: The Model has Chirality at C21 (Verify)       S
PLAT792_ALERT_1_G Note: The Model has Chirality at C22 (Verify)       S
PLAT792_ALERT_1_G Note: The Model has Chirality at C26 (Verify)       R
PLAT792_ALERT_1_G Note: The Model has Chirality at C34 (Verify)       S
PLAT792_ALERT_1_G Note: The Model has Chirality at C35 (Verify)       S
PLAT792_ALERT_1_G Note: The Model has Chirality at C47 (Verify)       R
PLAT792_ALERT_1_G Note: The Model has Chirality at C56 (Verify)       R
PLAT792_ALERT_1_G Note: The Model has Chirality at C59 (Verify)       R
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Zn1    (II)       1.93
PLAT850_ALERT_4_G Check Flack Parameter Exact Value 0.00 and su ..    0.02
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......       4

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