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Alert level A SHFSU01_ALERT_2_A The absolute value of parameter shift to su ratio > 0.20 Absolute value of the parameter shift to su ratio given 1.405 Additional refinement cycles may be required. 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) ... ? PLAT080_ALERT_2_A Maximum Shift/Error ............................ 1.40 PLAT362_ALERT_2_A Short C(sp3)-C(sp2) Bond C48 - C49 ... 1.20 Ang. Alert level B PLAT052_ALERT_1_B Info on Absorption Correction Method Missing ... ? PLAT093_ALERT_1_B No su¡¯s on H-atoms, but refinement reported as . mixed PLAT411_ALERT_2_B Short Inter H...H Contact H4A .. H50 .. 1.99 Ang. Alert level C PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent ......... 1 PLAT221_ALERT_2_C Large Solvent/Anion C Ueq(max)/Ueq(min) ... 4.0 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C36 -- C37 .. 6.0 su PLAT243_ALERT_4_C High ¡¯Solvent¡¯ Ueq as Compared to Neighbors of C49 PLAT244_ALERT_4_C Low ¡¯Solvent¡¯ Ueq as Compared to Neighbors of C50 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 3.4 PLAT368_ALERT_2_C Short C(sp2)-C(sp2) Bond C50 - C51 ... 1.21 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C47 H31 Ir N2 O4 Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su¡¯s on the Cell Angles are Equal .......... 0.03000 Deg. PLAT194_ALERT_1_G Missing _cell_measurement_reflns_used datum .... ? PLAT195_ALERT_1_G Missing _cell_measurement_theta_max datum .... ? PLAT196_ALERT_1_G Missing _cell_measurement_theta_min datum .... ? PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C43 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C47 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 3 N2 -IR1 -N1 -C11 -65.00 0.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 8 N2 -IR1 -N1 -C21 117.10 0.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 13 N1 -IR1 -N2 -C32 -49.30 0.60 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 18 N1 -IR1 -N2 -C42 144.50 0.50 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 22 C22 -IR1 -O3 -C44 33.10 1.50 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 26 C1 -IR1 -O4 -C46 23.80 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 34 O4 -IR1 -C1 -C2 80.00 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 39 O4 -IR1 -C1 -C10 -93.50 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 108 O3 -IR1 -C22 -C23 57.70 1.50 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 113 O3 -IR1 -C22 -C31 -116.70 1.30 1.555 1.555 1.555 1.555 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C5 H7 O2 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 4 |
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Alert level A SHFSU01_ALERT_2_A The absolute value of parameter shift to su ratio > 0.20 Absolute value of the parameter shift to su ratio given 1.405 Additional refinement cycles may be required. PLAT080_ALERT_2_A Maximum Shift/Error ............................ 1.40 ¶àÐÞ¼¸ÂÖ 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) ... ? ¾§Ìå³ß´çÌîºÃ PLAT362_ALERT_2_A Short C(sp3)-C(sp2) Bond C48 - C49 ... 1.20 Ang. ¿´¿´Õâ¸ö¼üÊǵ¥¼üË«¼ü»òÕßÈý¼ü È·¶¨Ã»ÎÊÌâ¿ÉÒÔÊÔÊÔdfixÏÞ¶¨Ï Alert level B PLAT052_ALERT_1_B Info on Absorption Correction Method Missing ... ? Ò»°ãmulti-scan PLAT093_ALERT_1_B No su¡¯s on H-atoms, but refinement reported as . mixed ÊÔÊÔconstr PLAT411_ALERT_2_B Short Inter H...H Contact H4A .. H50 .. 1.99 Ang. ¼ì²éH¼ÓµÄ¶Ô²»¶Ô Alert level C PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent ......... 1 ÓйÂÁ¢µÄÔ×Ó£¿ PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C47 H31 Ir N2 O4 ÊÔÊÔmoveÃüÁî |
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