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书剑如风

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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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