# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_outputcif
_database_code_depnum_ccdc_archive 'CCDC 1894386'
loop_
_audit_author_name
_audit_author_address
'Michael Thomas Wharmby'
;Deutsches Elektronen-Synchrotron DESY
Germany
;
_audit_update_record             
;
2019-01-29 deposited with the CCDC.	2019-04-04 downloaded from the CCDC.
;

#==============================================================================
# Chemical + Structural + Crystal Information
#==============================================================================
_chemical_formula_moiety         '	C8 Co N6 O4 Zn2, 2(O)'
# Note: _chemical_formula_sum/_weight/_cell_formula_units_Z need to be 
# recalculated if any one is changed
_chemical_formula_sum            'C8 Co N6 O6 Zn2'
_chemical_formula_weight         465.85
_cell_formula_units_Z            2
_pd_char_colour                  ? #ITC Vol G p.233-234
_exptl_crystal_density_diffrn    1.969
_exptl_crystal_density_meas      'Not measured'
_exptl_crystal_density_method    'Not measured'
_cell_measurement_temperature    298 #Experiment temperature in K

#==============================================================================
# Instrument + Refinement Information
#==============================================================================
_diffrn_ambient_temperature      298 #Experiment temperature in K
_diffrn_measurement_device_type  'P02.1, PETRA III, DESY, Hamburg, Germany'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.20738
_diffrn_radiation_type           synchrotron #ITC Vol G p.227
_pd_proc_ls_prof_R_factor        0.0164
_pd_proc_ls_prof_wR_factor       0.0236
_pd_proc_ls_prof_wR_expected     0.0292
_refine_ls_R_I_factor            0.0131
_refine_ls_goodness_of_fit_all   0.80719
_refine_ls_shift/su_max          0.0201812699
_refine_ls_number_parameters     ? # How many parameters refined
_refine_ls_number_restraints     ? #How many restraints used
_refine_diff_density_max         ? #Highest Fourier peak
_refine_diff_density_min         ? #Deepest Fourier hole

#==============================================================================
# Phase Information
#==============================================================================
_cell_length_a                   12.3804(3)
_cell_length_b                   7.50396(16)
_cell_length_c                   8.4883(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.6701(19)
_cell_angle_gamma                90
_cell_volume                     785.97(4)
_symmetry_cell_setting           monoclinic #Crystal system
_symmetry_space_group_name_H-M   'P 21/m'
_symmetry_space_group_name_Hall  '-P 2yb' #Get from checkCIF
_space_group_IT_number           11
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, y+1/2, -z '
'x, -y+1/2, z '
'-x, -y, -z '

# Atomic coordinates & thermal parameters
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Zn1 Zn 0 0.0872(2) 0.25 0.3226(4) 1 0.50(4)
Zn2 Zn 0 0.3649(2) 0.25 0.6823(4) 1 0.50(4)
Co1 Co 0 0.7438(3) 0.25 0.9543(4) 1 0.50(4)
C10 C 0 0.1017(19) 0.25 0.669(3) 1 0.9(2)
C11 C 0 0.0851(19) 0.25 0.833(3) 1 0.9(2)
O10 O 0 0.0372(12) 0.25 0.5377(17) 1 0.9(2)
O11 O 0 0.1933(10) 0.25 0.5969(18) 1 0.9(2)
C20 C 0 0.2018(13) -0.073(2) 0.169(2) 1 0.81(14)
N20 N 0 0.1655(11) 0.0368(15) 0.2402(14) 1 0.81(14)
C21 C 0 -0.130(2) 0.25 0.909(3) 1 0.81(14)
N21 N 0 -0.0521(15) 0.25 0.172(2) 1 0.81(14)
C22 C 0 0.3045(12) 0.577(2) 0.9192(18) 1 0.81(14)
N22 N 0 0.3392(10) 0.4616(17) 0.8526(17) 1 0.81(14)
C23 C 0 0.6149(17) 0.25 0.835(3) 1 0.81(14)
N23 N 0 0.5383(17) 0.25 0.753(2) 1 0.81(14)
Ow1 O 0 0.3931(9) 0.0634(14) 0.4912(14) 1 4.0(4)
Ow10 O 0 0.4265(13) 0.25 0.210(2) 1 3.3(3)
Ow11 O 0 0.2416(13) 0.75 0.538(2) 1 3.3(3)

# Molecular Geometry
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Zn1 O10 1.97507 1_555 1_555
Zn1 N20 2.02456 1_555 1_555
Zn1 N20 2.02456 1_555 3_555
Zn1 N21 2.06140 1_555 1_555
Zn1 O11 2.57849 1_555 1_555
Zn1 C10 2.93120 1_555 1_555
Zn1 C20 3.14465 1_555 1_555
Zn1 C20 3.14465 1_555 3_555
Zn2 N23 2.18150 1_555 1_555
Zn2 N22 2.18792 1_555 3_555
Zn2 N22 2.18792 1_555 1_555
Zn2 O11 2.18817 1_555 1_555
Zn2 Ow1 2.19227 1_555 3_555
Zn2 Ow1 2.19227 1_555 1_555
Co1 C21 1.63915 1_555 1_655
Co1 C22 1.81670 1_555 2_647
Co1 C22 1.81670 1_555 4_667
Co1 C23 1.81907 1_555 1_555
Co1 C20 1.85145 1_555 2_656
Co1 C20 1.85145 1_555 4_656
Co1 N23 2.94696 1_555 1_555
Co1 N22 2.94963 1_555 2_647
Co1 N22 2.94963 1_555 4_667
Co1 N20 2.98667 1_555 4_656
Co1 N20 2.98667 1_555 2_656
Co1 N21 3.00655 1_555 1_656
C10 O10 1.31715 1_555 1_555
C10 O11 1.33178 1_555 1_555
C10 C11 1.42363 1_555 1_555
C10 Zn1 2.93120 1_555 1_555
C11 C10 1.42363 1_555 1_555
C11 O11 2.49959 1_555 1_555
C11 O10 2.52837 1_555 1_555
C11 C21 2.79063 1_555 1_555
O10 C10 1.31715 1_555 1_555
O10 O11 1.95685 1_555 1_555
O10 Zn1 1.97507 1_555 1_555
O10 C11 2.52837 1_555 1_555
O11 C10 1.33178 1_555 1_555
O11 O10 1.95685 1_555 1_555
O11 Zn2 2.18817 1_555 1_555
O11 C11 2.49959 1_555 1_555
O11 Zn1 2.57849 1_555 1_555
O11 Ow1 3.04069 1_555 1_555
O11 Ow1 3.04069 1_555 3_555
O11 N22 3.13950 1_555 3_555
O11 N22 3.13950 1_555 1_555
C20 N20 1.13592 1_555 1_555
C20 C21 1.70200 1_555 2_546
C20 Co1 1.85145 1_555 2_646
C20 C22 2.55979 1_555 3_554
C20 C23 2.63205 1_555 2_646
C20 C20 2.65640 1_555 3_545
C20 Zn1 3.14465 1_555 1_555
N20 C20 1.13592 1_555 1_555
N20 Zn1 2.02456 1_555 1_555
N20 C21 2.51756 1_555 2_546
N20 Co1 2.98667 1_555 2_646
N20 N21 3.14614 1_555 1_555
N20 N20 3.19969 1_555 3_555
C21 Co1 1.63915 1_555 1_455
C21 C20 1.70200 1_555 2_556
C21 C20 1.70200 1_555 4_556
C21 N21 2.35865 1_555 1_556
C21 N20 2.51756 1_555 2_556
C21 N20 2.51756 1_555 4_556
C21 C11 2.79063 1_555 1_555
C21 C22 2.99869 1_555 4_567
C21 C22 2.99869 1_555 2_547
C21 C23 3.16954 1_555 1_455
N21 Zn1 2.06140 1_555 1_555
N21 C21 2.35865 1_555 1_554
N21 Co1 3.00655 1_555 1_454
N21 N20 3.14614 1_555 1_555
N21 N20 3.14614 1_555 3_555
C22 N22 1.13735 1_555 1_555
C22 Co1 1.81670 1_555 2_657
C22 C20 2.55979 1_555 3_556
C22 C23 2.58750 1_555 2_657
C22 C22 2.59637 1_555 3_565
C22 C21 2.99869 1_555 2_557
N22 C22 1.13735 1_555 1_555
N22 Zn2 2.18792 1_555 1_555
N22 Co1 2.94963 1_555 2_657
N22 N23 3.10665 1_555 1_555
N22 O11 3.13950 1_555 1_555
N22 N22 3.17568 1_555 3_555
N22 Ow1 3.19757 1_555 3_555
C23 N23 1.12975 1_555 1_555
C23 Co1 1.81907 1_555 1_555
C23 C22 2.58750 1_555 2_647
C23 C22 2.58750 1_555 4_667
C23 C20 2.63205 1_555 4_656
C23 C20 2.63205 1_555 2_656
C23 C21 3.16954 1_555 1_655
N23 C23 1.12975 1_555 1_555
N23 Zn2 2.18150 1_555 1_555
N23 Co1 2.94696 1_555 1_555
N23 Ow1 3.07896 1_555 3_555
N23 Ow1 3.07896 1_555 1_555
N23 N22 3.10665 1_555 1_555
N23 N22 3.10665 1_555 3_555
Ow1 Zn2 2.19227 1_555 1_555
Ow1 Ow1 2.80048 1_555 3_555
Ow1 Ow1 2.80527 1_555 4_656
Ow1 Ow10 2.82661 1_555 1_555
Ow1 O11 3.04069 1_555 1_555
Ow1 Ow11 3.05415 1_555 1_545
Ow1 N23 3.07896 1_555 1_555
Ow1 N22 3.19757 1_555 3_555
Ow10 Ow1 2.82661 1_555 1_555
Ow10 Ow1 2.82661 1_555 3_555
Ow11 Ow1 3.05415 1_555 3_555
Ow11 Ow1 3.05415 1_555 1_565
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
N20 Zn1 O10 120.950 1_555 1_555 1_555
N20 Zn1 N20 104.412 3_555 1_555 1_555
N20 Zn1 O10 120.950 3_555 1_555 1_555
N21 Zn1 N20 100.702 1_555 1_555 3_555
N21 Zn1 N20 100.702 1_555 1_555 1_555
N21 Zn1 O10 105.303 1_555 1_555 1_555
O11 Zn1 N21 154.019 1_555 1_555 1_555
O11 Zn1 N20 95.101 1_555 1_555 3_555
O11 Zn1 N20 95.101 1_555 1_555 1_555
O11 Zn1 O10 48.716 1_555 1_555 1_555
C10 Zn1 O11 27.014 1_555 1_555 1_555
C10 Zn1 N21 127.005 1_555 1_555 1_555
C10 Zn1 N20 110.770 1_555 1_555 3_555
C10 Zn1 N20 110.770 1_555 1_555 1_555
C10 Zn1 O10 21.702 1_555 1_555 1_555
C20 Zn1 C10 115.028 1_555 1_555 1_555
C20 Zn1 O11 99.237 1_555 1_555 1_555
C20 Zn1 N21 97.227 1_555 1_555 1_555
C20 Zn1 N20 102.765 1_555 1_555 3_555
C20 Zn1 N20 4.293 1_555 1_555 1_555
C20 Zn1 O10 124.696 1_555 1_555 1_555
C20 Zn1 C20 100.845 3_555 1_555 1_555
C20 Zn1 C10 115.028 3_555 1_555 1_555
C20 Zn1 O11 99.237 3_555 1_555 1_555
C20 Zn1 N21 97.227 3_555 1_555 1_555
C20 Zn1 N20 4.293 3_555 1_555 3_555
C20 Zn1 N20 102.765 3_555 1_555 1_555
C20 Zn1 O10 124.696 3_555 1_555 1_555
N22 Zn2 N23 90.632 3_555 1_555 1_555
N22 Zn2 N22 93.059 1_555 1_555 3_555
N22 Zn2 N23 90.632 1_555 1_555 1_555
O11 Zn2 N22 91.684 1_555 1_555 1_555
O11 Zn2 N22 91.684 1_555 1_555 3_555
O11 Zn2 N23 176.634 1_555 1_555 1_555
Ow1 Zn2 O11 87.919 3_555 1_555 1_555
Ow1 Zn2 N22 93.774 3_555 1_555 1_555
Ow1 Zn2 N22 173.164 3_555 1_555 3_555
Ow1 Zn2 N23 89.491 3_555 1_555 1_555
Ow1 Zn2 Ow1 79.393 1_555 1_555 3_555
Ow1 Zn2 O11 87.919 1_555 1_555 1_555
Ow1 Zn2 N22 173.164 1_555 1_555 1_555
Ow1 Zn2 N22 93.774 1_555 1_555 3_555
Ow1 Zn2 N23 89.491 1_555 1_555 1_555
C22 Co1 C21 120.302 2_647 1_555 1_655
C22 Co1 C22 91.218 4_667 1_555 2_647
C22 Co1 C21 120.302 4_667 1_555 1_655
C23 Co1 C22 90.743 1_555 1_555 4_667
C23 Co1 C22 90.743 1_555 1_555 2_647
C23 Co1 C21 132.779 1_555 1_555 1_655
C20 Co1 C23 91.623 2_656 1_555 1_555
C20 Co1 C22 88.503 2_656 1_555 4_667
C20 Co1 C22 177.621 2_656 1_555 2_647
C20 Co1 C21 57.984 2_656 1_555 1_655
C20 Co1 C20 91.678 4_656 1_555 2_656
C20 Co1 C23 91.623 4_656 1_555 1_555
C20 Co1 C22 177.621 4_656 1_555 4_667
C20 Co1 C22 88.503 4_656 1_555 2_647
C20 Co1 C21 57.984 4_656 1_555 1_655
N23 Co1 C20 90.507 1_555 1_555 4_656
N23 Co1 C20 90.507 1_555 1_555 2_656
N23 Co1 C23 1.603 1_555 1_555 1_555
N23 Co1 C22 91.864 1_555 1_555 4_667
N23 Co1 C22 91.864 1_555 1_555 2_647
N23 Co1 C21 131.176 1_555 1_555 1_655
N22 Co1 N23 89.933 2_647 1_555 1_555
N22 Co1 C20 86.962 2_647 1_555 4_656
N22 Co1 C20 178.574 2_647 1_555 2_656
N22 Co1 C23 88.844 2_647 1_555 1_555
N22 Co1 C22 92.838 2_647 1_555 4_667
N22 Co1 C22 2.481 2_647 1_555 2_647
N22 Co1 C21 120.811 2_647 1_555 1_655
N22 Co1 N22 94.395 4_667 1_555 2_647
N22 Co1 N23 89.933 4_667 1_555 1_555
N22 Co1 C20 178.574 4_667 1_555 4_656
N22 Co1 C20 86.962 4_667 1_555 2_656
N22 Co1 C23 88.844 4_667 1_555 1_555
N22 Co1 C22 2.481 4_667 1_555 4_667
N22 Co1 C22 92.838 4_667 1_555 2_647
N22 Co1 C21 120.811 4_667 1_555 1_655
N20 Co1 N22 178.253 4_656 1_555 4_667
N20 Co1 N22 86.684 4_656 1_555 2_647
N20 Co1 N23 91.443 4_656 1_555 1_555
N20 Co1 C20 0.977 4_656 1_555 4_656
N20 Co1 C20 91.949 4_656 1_555 2_656
N20 Co1 C23 92.553 4_656 1_555 1_555
N20 Co1 C22 176.658 4_656 1_555 4_667
N20 Co1 C22 88.193 4_656 1_555 2_647
N20 Co1 C21 57.444 4_656 1_555 1_655
N20 Co1 N20 92.205 2_656 1_555 4_656
N20 Co1 N22 86.684 2_656 1_555 4_667
N20 Co1 N22 178.253 2_656 1_555 2_647
N20 Co1 N23 91.443 2_656 1_555 1_555
N20 Co1 C20 91.949 2_656 1_555 4_656
N20 Co1 C20 0.977 2_656 1_555 2_656
N20 Co1 C23 92.553 2_656 1_555 1_555
N20 Co1 C22 88.193 2_656 1_555 4_667
N20 Co1 C22 176.658 2_656 1_555 2_647
N20 Co1 C21 57.444 2_656 1_555 1_655
N21 Co1 N20 90.273 1_656 1_555 2_656
N21 Co1 N20 90.273 1_656 1_555 4_656
N21 Co1 N22 88.386 1_656 1_555 4_667
N21 Co1 N22 88.386 1_656 1_555 2_647
N21 Co1 N23 177.526 1_656 1_555 1_555
N21 Co1 C20 91.217 1_656 1_555 4_656
N21 Co1 C20 91.217 1_656 1_555 2_656
N21 Co1 C23 175.923 1_656 1_555 1_555
N21 Co1 C22 86.407 1_656 1_555 4_667
N21 Co1 C22 86.407 1_656 1_555 2_647
N21 Co1 C21 51.298 1_656 1_555 1_655
O11 C10 O10 95.246 1_555 1_555 1_555
C11 C10 O11 130.202 1_555 1_555 1_555
C11 C10 O10 134.553 1_555 1_555 1_555
Zn1 C10 C11 168.228 1_555 1_555 1_555
Zn1 C10 O11 61.570 1_555 1_555 1_555
Zn1 C10 O10 33.675 1_555 1_555 1_555
O11 C11 C10 24.013 1_555 1_555 1_555
O10 C11 O11 45.804 1_555 1_555 1_555
O10 C11 C10 21.791 1_555 1_555 1_555
C21 C11 O10 94.472 1_555 1_555 1_555
C21 C11 O11 140.276 1_555 1_555 1_555
C21 C11 C10 116.263 1_555 1_555 1_555
O11 O10 C10 42.666 1_555 1_555 1_555
Zn1 O10 O11 81.957 1_555 1_555 1_555
Zn1 O10 C10 124.623 1_555 1_555 1_555
C11 O10 Zn1 148.278 1_555 1_555 1_555
C11 O10 O11 66.322 1_555 1_555 1_555
C11 O10 C10 23.656 1_555 1_555 1_555
O10 O11 C10 42.089 1_555 1_555 1_555
Zn2 O11 O10 175.550 1_555 1_555 1_555
Zn2 O11 C10 133.461 1_555 1_555 1_555
C11 O11 Zn2 107.675 1_555 1_555 1_555
C11 O11 O10 67.874 1_555 1_555 1_555
C11 O11 C10 25.786 1_555 1_555 1_555
Zn1 O11 C11 117.201 1_555 1_555 1_555
Zn1 O11 Zn2 135.123 1_555 1_555 1_555
Zn1 O11 O10 49.327 1_555 1_555 1_555
Zn1 O11 C10 91.416 1_555 1_555 1_555
Ow1 O11 Zn1 95.763 1_555 1_555 1_555
Ow1 O11 C11 137.606 1_555 1_555 1_555
Ow1 O11 Zn2 46.096 1_555 1_555 1_555
Ow1 O11 O10 137.253 1_555 1_555 1_555
Ow1 O11 C10 151.547 1_555 1_555 1_555
Ow1 O11 Ow1 54.839 3_555 1_555 1_555
Ow1 O11 Zn1 95.763 3_555 1_555 1_555
Ow1 O11 C11 137.606 3_555 1_555 1_555
Ow1 O11 Zn2 46.096 3_555 1_555 1_555
Ow1 O11 O10 137.253 3_555 1_555 1_555
Ow1 O11 C10 151.547 3_555 1_555 1_555
N22 O11 Ow1 90.047 3_555 1_555 3_555
N22 O11 Ow1 62.291 3_555 1_555 1_555
N22 O11 Zn1 147.822 3_555 1_555 1_555
N22 O11 C11 76.198 3_555 1_555 1_555
N22 O11 Zn2 44.155 3_555 1_555 1_555
N22 O11 O10 132.697 3_555 1_555 1_555
N22 O11 C10 98.385 3_555 1_555 1_555
N22 O11 N22 60.764 1_555 1_555 3_555
N22 O11 Ow1 62.291 1_555 1_555 3_555
N22 O11 Ow1 90.047 1_555 1_555 1_555
N22 O11 Zn1 147.822 1_555 1_555 1_555
N22 O11 C11 76.198 1_555 1_555 1_555
N22 O11 Zn2 44.155 1_555 1_555 1_555
N22 O11 O10 132.697 1_555 1_555 1_555
N22 O11 C10 98.385 1_555 1_555 1_555
C21 C20 N20 123.799 2_546 1_555 1_555
Co1 C20 C21 54.744 2_646 1_555 2_546
Co1 C20 N20 177.430 2_646 1_555 1_555
C22 C20 Co1 45.191 3_554 1_555 2_646
C22 C20 C21 86.992 3_554 1_555 2_546
C22 C20 N20 133.942 3_554 1_555 1_555
C23 C20 C22 59.766 2_646 1_555 3_554
C23 C20 Co1 43.697 2_646 1_555 2_646
C23 C20 C21 91.417 2_646 1_555 2_546
C23 C20 N20 138.744 2_646 1_555 1_555
C20 C20 C23 59.693 3_545 1_555 2_646
C20 C20 C22 89.328 3_545 1_555 3_554
C20 C20 Co1 44.161 3_545 1_555 2_646
C20 C20 C21 38.705 3_545 1_555 2_546
C20 C20 N20 136.497 3_545 1_555 1_555
Zn1 C20 C20 140.423 1_555 1_555 3_545
Zn1 C20 C23 144.378 1_555 1_555 2_646
Zn1 C20 C22 128.592 1_555 1_555 3_554
Zn1 C20 Co1 169.891 1_555 1_555 2_646
Zn1 C20 C21 121.587 1_555 1_555 2_546
Zn1 C20 N20 7.667 1_555 1_555 1_555
Zn1 N20 C20 168.041 1_555 1_555 1_555
C21 N20 Zn1 141.299 2_546 1_555 1_555
C21 N20 C20 34.180 2_546 1_555 1_555
Co1 N20 C21 33.283 2_646 1_555 2_546
Co1 N20 Zn1 166.541 2_646 1_555 1_555
Co1 N20 C20 1.593 2_646 1_555 1_555
N21 N20 Co1 128.283 1_555 1_555 2_646
N21 N20 C21 103.317 1_555 1_555 2_546
N21 N20 Zn1 40.077 1_555 1_555 1_555
N21 N20 C20 129.858 1_555 1_555 1_555
N20 N20 N21 59.435 3_555 1_555 1_555
N20 N20 Co1 136.102 3_555 1_555 2_646
N20 N20 C21 148.743 3_555 1_555 2_546
N20 N20 Zn1 37.794 3_555 1_555 1_555
N20 N20 C20 136.497 3_555 1_555 1_555
C20 C21 Co1 67.272 2_556 1_555 1_455
C20 C21 C20 102.590 4_556 1_555 2_556
C20 C21 Co1 67.272 4_556 1_555 1_455
N21 C21 C20 121.907 1_556 1_555 4_556
N21 C21 C20 121.907 1_556 1_555 2_556
N21 C21 Co1 95.859 1_556 1_555 1_455
N20 C21 N21 121.152 2_556 1_555 1_556
N20 C21 C20 114.027 2_556 1_555 4_556
N20 C21 C20 22.021 2_556 1_555 2_556
N20 C21 Co1 89.273 2_556 1_555 1_455
N20 C21 N20 117.486 4_556 1_555 2_556
N20 C21 N21 121.152 4_556 1_555 1_556
N20 C21 C20 22.021 4_556 1_555 4_556
N20 C21 C20 114.027 4_556 1_555 2_556
N20 C21 Co1 89.273 4_556 1_555 1_455
C11 C21 N20 90.831 1_555 1_555 4_556
C11 C21 N20 90.831 1_555 1_555 2_556
C11 C21 N21 83.941 1_555 1_555 1_556
C11 C21 C20 112.835 1_555 1_555 4_556
C11 C21 C20 112.835 1_555 1_555 2_556
C11 C21 Co1 179.799 1_555 1_555 1_455
C22 C21 C11 148.349 4_567 1_555 1_555
C22 C21 N20 120.766 4_567 1_555 4_556
C22 C21 N20 76.784 4_567 1_555 2_556
C22 C21 N21 78.169 4_567 1_555 1_556
C22 C21 C20 98.794 4_567 1_555 4_556
C22 C21 C20 58.480 4_567 1_555 2_556
C22 C21 Co1 31.538 4_567 1_555 1_455
C22 C21 C22 51.306 2_547 1_555 4_567
C22 C21 C11 148.349 2_547 1_555 1_555
C22 C21 N20 76.784 2_547 1_555 4_556
C22 C21 N20 120.766 2_547 1_555 2_556
C22 C21 N21 78.169 2_547 1_555 1_556
C22 C21 C20 58.480 2_547 1_555 4_556
C22 C21 C20 98.794 2_547 1_555 2_556
C22 C21 Co1 31.538 2_547 1_555 1_455
C23 C21 C22 49.509 1_455 1_555 2_547
C23 C21 C22 49.509 1_455 1_555 4_567
C23 C21 C11 155.287 1_455 1_555 1_555
C23 C21 N20 76.702 1_455 1_555 4_556
C23 C21 N20 76.702 1_455 1_555 2_556
C23 C21 N21 120.772 1_455 1_555 1_556
C23 C21 C20 56.116 1_455 1_555 4_556
C23 C21 C20 56.116 1_455 1_555 2_556
C23 C21 Co1 24.913 1_455 1_555 1_455
C21 N21 Zn1 147.555 1_554 1_555 1_555
Co1 N21 C21 32.843 1_454 1_555 1_554
Co1 N21 Zn1 179.601 1_454 1_555 1_555
N20 N21 Co1 141.015 1_555 1_555 1_454
N20 N21 C21 116.883 1_555 1_555 1_554
N20 N21 Zn1 39.221 1_555 1_555 1_555
N20 N21 N20 61.129 3_555 1_555 1_555
N20 N21 Co1 141.015 3_555 1_555 1_454
N20 N21 C21 116.883 3_555 1_555 1_554
N20 N21 Zn1 39.221 3_555 1_555 1_555
Co1 C22 N22 173.554 2_657 1_555 1_555
C20 C22 Co1 46.306 3_556 1_555 2_657
C20 C22 N22 129.493 3_556 1_555 1_555
C23 C22 C20 61.504 2_657 1_555 3_556
C23 C22 Co1 44.665 2_657 1_555 2_657
C23 C22 N22 130.264 2_657 1_555 1_555
C22 C22 C23 59.887 3_565 1_555 2_657
C22 C22 C20 90.672 3_565 1_555 3_556
C22 C22 Co1 44.391 3_565 1_555 2_657
C22 C22 N22 139.586 3_565 1_555 1_555
C21 C22 C22 64.347 2_557 1_555 3_565
C21 C22 C23 68.683 2_557 1_555 2_657
C21 C22 C20 34.527 2_557 1_555 3_556
C21 C22 Co1 28.160 2_557 1_555 2_657
C21 C22 N22 152.569 2_557 1_555 1_555
Zn2 N22 C22 164.173 1_555 1_555 1_555
Co1 N22 Zn2 167.316 2_657 1_555 1_555
Co1 N22 C22 3.965 2_657 1_555 1_555
N23 N22 Co1 147.807 1_555 1_555 2_657
N23 N22 Zn2 44.601 1_555 1_555 1_555
N23 N22 C22 149.836 1_555 1_555 1_555
O11 N22 N23 88.737 1_555 1_555 1_555
O11 N22 Co1 123.257 1_555 1_555 2_657
O11 N22 Zn2 44.161 1_555 1_555 1_555
O11 N22 C22 120.622 1_555 1_555 1_555
N22 N22 O11 59.618 3_555 1_555 1_555
N22 N22 N23 59.262 3_555 1_555 1_555
N22 N22 Co1 137.198 3_555 1_555 2_657
N22 N22 Zn2 43.470 3_555 1_555 1_555
N22 N22 C22 139.586 3_555 1_555 1_555
Ow1 N22 N22 86.637 3_555 1_555 3_555
Ow1 N22 O11 57.339 3_555 1_555 1_555
Ow1 N22 N23 58.449 3_555 1_555 1_555
Ow1 N22 Co1 133.277 3_555 1_555 2_657
Ow1 N22 Zn2 43.166 3_555 1_555 1_555
Ow1 N22 C22 129.665 3_555 1_555 1_555
Co1 C23 N23 175.816 1_555 1_555 1_555
C22 C23 Co1 44.591 2_647 1_555 1_555
C22 C23 N23 138.250 2_647 1_555 1_555
C22 C23 C22 60.227 4_667 1_555 2_647
C22 C23 Co1 44.591 4_667 1_555 1_555
C22 C23 N23 138.250 4_667 1_555 1_555
C20 C23 C22 89.271 4_656 1_555 4_667
C20 C23 C22 58.730 4_656 1_555 2_647
C20 C23 Co1 44.680 4_656 1_555 1_555
C20 C23 N23 132.332 4_656 1_555 1_555
C20 C23 C20 60.613 2_656 1_555 4_656
C20 C23 C22 58.730 2_656 1_555 4_667
C20 C23 C22 89.271 2_656 1_555 2_647
C20 C23 Co1 44.680 2_656 1_555 1_555
C20 C23 N23 132.332 2_656 1_555 1_555
C21 C23 C20 32.468 1_655 1_555 2_656
C21 C23 C20 32.468 1_655 1_555 4_656
C21 C23 C22 61.808 1_655 1_555 4_667
C21 C23 C22 61.808 1_655 1_555 2_647
C21 C23 Co1 22.308 1_655 1_555 1_555
C21 C23 N23 153.509 1_655 1_555 1_555
Zn2 N23 C23 158.030 1_555 1_555 1_555
Co1 N23 Zn2 160.611 1_555 1_555 1_555
Co1 N23 C23 2.581 1_555 1_555 1_555
Ow1 N23 Co1 147.590 3_555 1_555 1_555
Ow1 N23 Zn2 45.397 3_555 1_555 1_555
Ow1 N23 C23 148.887 3_555 1_555 1_555
Ow1 N23 Ow1 54.101 1_555 1_555 3_555
Ow1 N23 Co1 147.590 1_555 1_555 1_555
Ow1 N23 Zn2 45.397 1_555 1_555 1_555
Ow1 N23 C23 148.887 1_555 1_555 1_555
N22 N23 Ow1 89.960 1_555 1_555 1_555
N22 N23 Ow1 62.252 1_555 1_555 3_555
N22 N23 Co1 120.589 1_555 1_555 1_555
N22 N23 Zn2 44.767 1_555 1_555 1_555
N22 N23 C23 118.501 1_555 1_555 1_555
N22 N23 N22 61.476 3_555 1_555 1_555
N22 N23 Ow1 62.252 3_555 1_555 1_555
N22 N23 Ow1 89.960 3_555 1_555 3_555
N22 N23 Co1 120.589 3_555 1_555 1_555
N22 N23 Zn2 44.767 3_555 1_555 1_555
N22 N23 C23 118.501 3_555 1_555 1_555
Ow1 Ow1 Zn2 50.304 3_555 1_555 1_555
Ow1 Ow1 Ow1 109.827 4_656 1_555 3_555
Ow1 Ow1 Zn2 112.560 4_656 1_555 1_555
Ow10 Ow1 Ow1 90.614 1_555 1_555 4_656
Ow10 Ow1 Ow1 60.305 1_555 1_555 3_555
Ow10 Ow1 Zn2 110.578 1_555 1_555 1_555
O11 Ow1 Ow10 101.508 1_555 1_555 1_555
O11 Ow1 Ow1 158.004 1_555 1_555 4_656
O11 Ow1 Ow1 62.581 1_555 1_555 3_555
O11 Ow1 Zn2 45.985 1_555 1_555 1_555
Ow11 Ow1 O11 78.068 1_545 1_555 1_555
Ow11 Ow1 Ow10 128.675 1_545 1_555 1_555
Ow11 Ow1 Ow1 108.584 1_545 1_555 4_656
Ow11 Ow1 Ow1 140.355 1_545 1_555 3_555
Ow11 Ow1 Zn2 105.016 1_545 1_555 1_555
N23 Ow1 Ow11 125.800 1_555 1_555 1_545
N23 Ow1 O11 91.077 1_555 1_555 1_555
N23 Ow1 Ow10 105.500 1_555 1_555 1_555
N23 Ow1 Ow1 67.846 1_555 1_555 4_656
N23 Ow1 Ow1 62.949 1_555 1_555 3_555
N23 Ow1 Zn2 45.112 1_555 1_555 1_555
N22 Ow1 N23 59.299 3_555 1_555 1_555
N22 Ow1 Ow11 69.616 3_555 1_555 1_545
N22 Ow1 O11 60.370 3_555 1_555 1_555
N22 Ow1 Ow10 153.574 3_555 1_555 1_555
N22 Ow1 Ow1 101.462 3_555 1_555 4_656
N22 Ow1 Ow1 93.363 3_555 1_555 3_555
N22 Ow1 Zn2 43.060 3_555 1_555 1_555
Ow1 Ow10 Ow1 59.389 3_555 1_555 1_555
Ow1 Ow11 Ow1 100.711 1_565 1_555 3_555

#==============================================================================
# PD Data Block - Obs + Calc
#==============================================================================
_pd_proc_2theta_range_min        0.50000 #Lowest value in column 2 below
_pd_proc_2theta_range_max        11.70000 #Lowest value in column 2 below
_pd_proc_2theta_range_inc        
0.005 #Step size between any two points in column 2 below
_pd_meas_number_of_points        
2241 #This is the last number in column 1 below

loop_
_pd_proc_point_id
_pd_meas_2theta_scan
_pd_proc_intensity_total
_pd_calc_intensity_total
_pd_proc_ls_weight
1 0.50000 1583.14916 1544.91870 0.00065
2 0.50500 1588.59359 1556.48930 0.00064
3 0.51000 1593.94722 1569.05500 0.00064
4 0.51500 1599.21114 1580.41090 0.00063
5 0.52000 1604.38638 1589.02760 0.00063
6 0.52500 1609.47401 1599.64840 0.00063
7 0.53000 1614.47507 1611.96720 0.00062
8 0.53500 1619.39056 1618.86920 0.00062
9 0.54000 1624.22152 1627.82450 0.00061
10 0.54500 1628.96896 1634.42060 0.00061
11 0.55000 1633.63386 1643.59780 0.00061
12 0.55500 1638.21723 1645.33700 0.00061
13 0.56000 1642.72003 1655.88160 0.00060
14 0.56500 1647.14447 1660.50230 0.00060
15 0.57000 1651.48906 1664.31860 0.00060
16 0.57500 1655.75597 1668.06110 0.00060
17 0.58000 1659.94614 1675.35850 0.00060
18 0.58500 1664.06051 1677.19720 0.00060
19 0.59000 1668.09999 1677.22690 0.00060
20 0.59500 1672.06552 1682.14870 0.00059
21 0.60000 1675.95798 1684.32090 0.00059
22 0.60500 1679.77828 1689.55060 0.00059
23 0.61000 1683.52730 1694.18280 0.00059
24 0.61500 1687.20594 1697.90760 0.00059
25 0.62000 1690.81505 1700.41420 0.00059
26 0.62500 1694.35550 1702.84010 0.00059
27 0.63000 1697.82814 1705.34210 0.00059
28 0.63500 1701.23383 1710.44710 0.00058
29 0.64000 1704.57340 1710.47080 0.00058
30 0.64500 1707.84767 1713.84320 0.00058
31 0.65000 1711.05747 1719.49150 0.00058
32 0.65500 1714.21134 1719.68010 0.00058
33 0.66000 1717.29470 1723.51210 0.00058
34 0.66500 1720.31600 1727.23330 0.00058
35 0.67000 1723.27604 1730.27240 0.00058
36 0.67500 1726.17560 1731.70960 0.00058
37 0.68000 1729.01545 1733.99340 0.00058
38 0.68500 1731.79635 1735.31440 0.00058
39 0.69000 1734.51907 1735.30880 0.00058
40 0.69500 1737.18436 1737.87090 0.00058
41 0.70000 1739.79297 1741.99500 0.00057
42 0.70500 1742.34562 1745.80190 0.00057
43 0.71000 1744.84305 1748.06250 0.00057
44 0.71500 1747.28599 1752.44860 0.00057
45 0.72000 1749.67515 1750.08190 0.00057
46 0.72500 1752.04132 1757.63340 0.00057
47 0.73000 1754.32529 1761.23990 0.00057
48 0.73500 1756.55759 1761.32770 0.00057
49 0.74000 1758.73892 1760.43550 0.00057
50 0.74500 1760.86996 1761.61030 0.00057
51 0.75000 1762.95138 1762.84340 0.00057
52 0.75500 1764.98387 1766.00590 0.00057
53 0.76000 1766.96808 1766.38910 0.00057
54 0.76500 1768.90469 1769.19320 0.00057
55 0.77000 1770.79435 1769.78020 0.00057
56 0.77500 1772.63771 1773.51390 0.00056
57 0.78000 1774.43543 1775.04720 0.00056
58 0.78500 1776.18816 1774.90400 0.00056
59 0.79000 1777.89653 1777.20880 0.00056
60 0.79500 1779.56120 1775.91190 0.00056
61 0.80000 1781.18281 1778.85630 0.00056
62 0.80500 1782.76201 1782.42080 0.00056
63 0.81000 1784.29943 1783.92940 0.00056
64 0.81500 1785.79572 1781.12150 0.00056
65 0.82000 1787.25156 1785.18680 0.00056
66 0.82500 1788.66758 1787.56390 0.00056
67 0.83000 1790.04449 1788.65940 0.00056
68 0.83500 1791.38296 1790.66630 0.00056
69 0.84000 1792.68370 1790.56510 0.00056
70 0.84500 1793.94747 1791.74860 0.00056
71 0.85000 1795.17504 1791.77310 0.00056
72 0.85500 1796.36723 1793.20580 0.00056
73 0.86000 1797.52494 1792.28470 0.00056
74 0.86500 1798.64914 1795.01890 0.00056
75 0.87000 1799.74092 1795.84690 0.00056
76 0.87500 1800.80151 1797.12790 0.00056
77 0.88000 1801.83237 1795.55030 0.00056
78 0.88500 1802.83520 1801.06090 0.00056
79 0.89000 1803.81213 1798.25840 0.00056
80 0.89500 1804.76580 1803.04060 0.00055
81 0.90000 1805.69971 1803.76180 0.00055
82 0.90500 1806.61881 1802.16260 0.00055
83 0.91000 1807.53166 1805.72900 0.00055
84 0.91500 1808.45916 1809.18540 0.00055
85 0.92000 1809.48691 1813.10170 0.00055
86 0.92500 1810.78012 1811.07340 0.00055
87 0.93000 1812.92460 1814.72980 0.00055
88 0.93500 1817.18065 1815.74720 0.00055
89 0.94000 1825.68547 1822.13830 0.00055
90 0.94500 1840.86306 1825.77010 0.00055
91 0.95000 1863.58023 1839.93020 0.00054
92 0.95500 1890.75756 1855.66030 0.00054
93 0.96000 1914.54058 1869.67280 0.00053
94 0.96500 1925.01052 1880.22700 0.00053
95 0.97000 1916.93567 1873.75190 0.00053
96 0.97500 1894.82311 1860.88220 0.00054
97 0.98000 1868.50154 1847.75060 0.00054
98 0.98500 1846.15877 1834.02370 0.00055
99 0.99000 1831.27973 1826.18880 0.00055
100 0.99500 1823.24196 1824.25490 0.00055
101 1.00000 1819.66574 1820.28020 0.00055
102 1.00500 1818.35285 1820.12950 0.00055
103 1.01000 1817.97185 1818.08570 0.00055
104 1.01500 1817.91332 1820.35170 0.00055
105 1.02000 1817.95258 1817.87830 0.00055
106 1.02500 1818.01836 1818.68840 0.00055
107 1.03000 1818.08861 1819.79470 0.00055
108 1.03500 1818.15503 1818.43770 0.00055
109 1.04000 1818.21330 1815.01630 0.00055
110 1.04500 1818.26066 1812.92700 0.00055
111 1.05000 1818.29520 1813.42640 0.00055
112 1.05500 1818.31559 1810.72890 0.00055
113 1.06000 1818.32090 1818.18800 0.00055
114 1.06500 1818.31048 1817.12650 0.00055
115 1.07000 1818.28391 1817.81720 0.00055
116 1.07500 1818.24091 1822.99680 0.00055
117 1.08000 1818.70869 1821.69580 0.00055
118 1.08500 1818.63686 1818.40050 0.00055
119 1.09000 1818.54995 1820.31200 0.00055
120 1.09500 1818.44496 1821.34500 0.00055
121 1.10000 1818.32350 1817.82000 0.00055
122 1.10500 1818.18569 1813.32640 0.00055
123 1.11000 1818.03167 1814.08660 0.00055
124 1.11500 1817.86162 1816.03180 0.00055
125 1.12000 1817.67569 1814.58270 0.00055
126 1.12500 1817.47409 1809.87190 0.00055
127 1.13000 1817.25701 1813.07690 0.00055
128 1.13500 1817.02466 1814.88570 0.00055
129 1.14000 1816.77724 1812.54090 0.00055
130 1.14500 1816.51498 1812.02150 0.00055
131 1.15000 1816.23808 1816.59170 0.00055
132 1.15500 1815.94676 1819.17950 0.00055
133 1.16000 1815.64125 1814.25680 0.00055
134 1.16500 1815.32176 1813.73790 0.00055
135 1.17000 1814.98851 1811.15600 0.00055
136 1.17500 1814.65226 1811.08150 0.00055
137 1.18000 1814.29223 1813.69870 0.00055
138 1.18500 1813.91910 1812.51270 0.00055
139 1.19000 1813.53307 1810.15600 0.00055
140 1.19500 1813.13436 1810.35530 0.00055
141 1.20000 1812.72319 1809.12900 0.00055
142 1.20500 1812.29975 1806.83520 0.00055
143 1.21000 1811.86427 1808.55750 0.00055
144 1.21500 1811.41695 1805.68060 0.00055
145 1.22000 1810.95798 1805.54430 0.00055
146 1.22500 1810.48758 1807.54280 0.00055
147 1.23000 1810.00593 1809.44050 0.00055
148 1.23500 1809.51324 1808.20110 0.00055
149 1.24000 1809.00970 1807.51600 0.00055
150 1.24500 1808.49551 1810.26150 0.00055
151 1.25000 1807.97085 1808.54890 0.00055
152 1.25500 1807.43592 1808.43570 0.00055
153 1.26000 1806.89089 1806.18870 0.00055
154 1.26500 1806.33595 1803.60420 0.00055
155 1.27000 1805.77129 1804.21960 0.00055
156 1.27500 1805.37905 1802.67820 0.00055
157 1.28000 1804.79700 1803.80370 0.00055
158 1.28500 1804.20577 1803.91720 0.00055
159 1.29000 1803.60641 1802.99910 0.00055
160 1.29500 1802.99736 1800.38410 0.00056
161 1.30000 1802.37967 1800.75850 0.00056
162 1.30500 1801.75349 1803.52270 0.00055
163 1.31000 1801.11900 1806.30370 0.00055
164 1.31500 1800.47638 1807.34520 0.00055
165 1.32000 1799.82579 1806.87570 0.00055
166 1.32500 1799.16742 1805.41500 0.00055
167 1.33000 1798.50143 1803.28840 0.00055
168 1.33500 1797.82803 1800.36900 0.00056
169 1.34000 1797.14741 1800.48830 0.00056
170 1.34500 1796.45978 1800.64970 0.00056
171 1.35000 1795.76540 1795.72380 0.00056
172 1.35500 1795.06462 1796.12940 0.00056
173 1.36000 1794.35811 1799.32400 0.00056
174 1.36500 1793.64765 1798.20680 0.00056
175 1.37000 1792.93815 1800.59890 0.00056
176 1.37500 1792.24145 1803.63830 0.00055
177 1.38000 1791.58035 1809.66290 0.00055
178 1.38500 1790.98631 1818.99760 0.00055
179 1.39000 1790.48244 1838.07820 0.00054
180 1.39500 1790.05286 1863.94720 0.00054
181 1.40000 1789.61907 1883.68950 0.00053
182 1.40500 1789.05143 1896.31670 0.00053
183 1.41000 1788.24340 1897.74800 0.00053
184 1.41500 1787.21674 1879.62940 0.00053
185 1.42000 1786.09697 1855.18830 0.00054
186 1.42500 1785.00334 1834.14450 0.00055
187 1.43000 1783.99544 1815.68880 0.00055
188 1.43500 1783.07467 1805.49590 0.00055
189 1.44000 1782.21295 1800.96160 0.00056
190 1.44500 1781.38066 1792.23490 0.00056
191 1.45000 1780.55867 1787.32730 0.00056
192 1.45500 1779.73790 1786.30470 0.00056
193 1.46000 1778.91494 1787.59820 0.00056
194 1.46500 1778.08876 1780.79300 0.00056
195 1.47000 1777.25907 1779.41030 0.00056
196 1.47500 1776.42586 1780.01950 0.00056
197 1.48000 1775.58916 1779.32990 0.00056
198 1.48500 1774.74905 1778.82030 0.00056
199 1.49000 1773.90564 1779.05480 0.00056
200 1.49500 1773.05903 1777.19570 0.00056
201 1.50000 1772.20938 1773.62760 0.00056
202 1.50500 1771.35683 1774.23300 0.00056
203 1.51000 1770.50156 1772.08840 0.00056
204 1.51500 1769.64374 1772.89910 0.00056
205 1.52000 1768.78360 1769.00260 0.00057
206 1.52500 1767.92137 1769.05230 0.00057
207 1.53000 1767.05734 1767.63290 0.00057
208 1.53500 1766.19181 1762.74260 0.00057
209 1.54000 1765.32516 1762.40180 0.00057
210 1.54500 1764.45785 1763.59810 0.00057
211 1.55000 1763.59041 1762.18780 0.00057
212 1.55500 1762.72351 1762.15860 0.00057
213 1.56000 1761.85800 1759.88940 0.00057
214 1.56500 1760.99498 1756.37410 0.00057
215 1.57000 1760.13587 1756.83740 0.00057
216 1.57500 1759.28260 1754.71090 0.00057
217 1.58000 1758.43790 1756.53170 0.00057
218 1.58500 1757.63705 1755.19780 0.00057
219 1.59000 1756.82737 1752.45580 0.00057
220 1.59500 1756.06369 1751.06540 0.00057
221 1.60000 1755.41800 1748.17030 0.00057
222 1.60500 1755.09765 1750.33540 0.00057
223 1.61000 1755.51553 1758.95360 0.00057
224 1.61500 1757.42229 1757.22380 0.00057
225 1.62000 1761.64276 1755.88670 0.00057
226 1.62500 1768.42765 1760.07020 0.00057
227 1.63000 1776.61224 1767.30490 0.00057
228 1.63500 1783.28398 1771.09060 0.00056
229 1.64000 1784.76289 1769.65610 0.00057
230 1.64500 1779.60232 1765.29460 0.00057
231 1.65000 1770.28147 1760.32000 0.00057
232 1.65500 1760.47730 1753.73080 0.00057
233 1.66000 1752.60701 1746.17920 0.00057
234 1.66500 1747.34216 1741.66800 0.00057
235 1.67000 1744.17113 1735.27470 0.00058
236 1.67500 1742.24682 1730.78950 0.00058
237 1.68000 1740.91659 1730.98470 0.00058
238 1.68500 1739.82944 1729.47740 0.00058
239 1.69000 1738.85437 1727.28400 0.00058
240 1.69500 1737.91097 1723.34770 0.00058
241 1.70000 1736.99914 1724.35000 0.00058
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1008 5.53500 1272.70464 1253.43330 0.00080
1009 5.54000 1268.83654 1263.85510 0.00079
1010 5.54500 1244.39784 1270.22790 0.00079
1011 5.55000 1276.53177 1325.90270 0.00075
1012 5.55500 1392.74843 1453.64540 0.00069
1013 5.56000 1561.17820 1603.95290 0.00062
1014 5.56500 1682.62589 1687.26450 0.00059
1015 5.57000 1661.08090 1639.27710 0.00061
1016 5.57500 1501.73588 1473.29100 0.00068
1017 5.58000 1291.55261 1264.99950 0.00079
1018 5.58500 1115.90305 1083.93070 0.00092
1019 5.59000 1007.54785 966.21921 0.00103
1020 5.59500 962.94174 907.58501 0.00110
1021 5.60000 960.59902 889.91874 0.00112
1022 5.60500 965.44277 891.23496 0.00112
1023 5.61000 947.48836 889.33644 0.00112
1024 5.61500 917.62422 884.69808 0.00113
1025 5.62000 907.43281 889.05312 0.00112
1026 5.62500 939.22472 925.94630 0.00108
1027 5.63000 1025.10150 1016.84440 0.00098
1028 5.63500 1163.87668 1152.78400 0.00087
1029 5.64000 1323.27814 1288.82120 0.00078
1030 5.64500 1414.81535 1355.26210 0.00074
1031 5.65000 1355.24053 1309.93480 0.00076
1032 5.65500 1194.27584 1177.37490 0.00085
1033 5.66000 1030.98000 1028.37000 0.00097
1034 5.66500 910.58190 913.72779 0.00109
1035 5.67000 839.36319 849.24620 0.00118
1036 5.67500 809.46055 825.09694 0.00121
1037 5.68000 810.37172 825.42126 0.00121
1038 5.68500 834.70194 846.87080 0.00118
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1042 5.70500 952.86920 947.28514 0.00106
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1068 5.83500 1347.29181 1318.59520 0.00076
1069 5.84000 1542.74982 1463.32730 0.00068
1070 5.84500 1615.83246 1522.92090 0.00066
1071 5.85000 1515.57677 1474.33050 0.00068
1072 5.85500 1340.31588 1352.96480 0.00074
1073 5.86000 1204.80407 1236.99980 0.00081
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1078 5.88500 1210.88277 1210.73010 0.00083
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1103 6.01000 1005.07885 994.12536 0.00101
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1756 9.27500 726.51437 734.58477 0.00136
1757 9.28000 723.63904 721.34383 0.00139
1758 9.28500 710.67766 697.61864 0.00143
1759 9.29000 698.81028 674.57375 0.00148
1760 9.29500 695.94448 659.50003 0.00152
1761 9.30000 699.94310 655.44864 0.00153
1762 9.30500 700.16654 659.45243 0.00152
1763 9.31000 688.23659 658.01351 0.00152
1764 9.31500 668.85669 655.61291 0.00153
1765 9.32000 652.48121 651.35733 0.00154
1766 9.32500 643.75390 647.86946 0.00154
1767 9.33000 640.40062 646.42319 0.00155
1768 9.33500 637.89756 646.66211 0.00155
1769 9.34000 633.26844 645.40100 0.00155
1770 9.34500 626.06243 645.57004 0.00155
1771 9.35000 616.63870 640.89119 0.00156
1772 9.35500 604.30463 629.02620 0.00159
1773 9.36000 587.95623 609.66476 0.00164
1774 9.36500 567.72877 586.29486 0.00171
1775 9.37000 546.43509 561.93299 0.00178
1776 9.37500 527.68726 542.33715 0.00184
1777 9.38000 513.17514 525.05763 0.00190
1778 9.38500 502.92023 512.05313 0.00195
1779 9.39000 496.29027 505.45901 0.00198
1780 9.39500 492.61964 501.57860 0.00199
1781 9.40000 491.44387 499.35315 0.00200
1782 9.40500 492.62695 499.09188 0.00200
1783 9.41000 496.35306 502.44714 0.00199
1784 9.41500 503.13210 505.86600 0.00198
1785 9.42000 513.79839 515.31330 0.00194
1786 9.42500 529.34745 532.10596 0.00188
1787 9.43000 550.60406 553.21091 0.00181
1788 9.43500 577.30374 582.85670 0.00172
1789 9.44000 606.37623 617.86538 0.00162
1790 9.44500 631.27220 647.11965 0.00155
1791 9.45000 645.42581 661.82355 0.00151
1792 9.45500 647.89314 662.10272 0.00151
1793 9.46000 644.02023 649.60635 0.00154
1794 9.46500 639.12705 633.86471 0.00158
1795 9.47000 634.09264 617.68846 0.00162
1796 9.47500 627.75602 603.95366 0.00166
1797 9.48000 621.68621 596.96702 0.00168
1798 9.48500 620.92460 595.54684 0.00168
1799 9.49000 630.83466 603.88936 0.00166
1800 9.49500 654.72078 631.14931 0.00158
1801 9.50000 693.18114 677.33342 0.00148
1802 9.50500 742.82923 740.27818 0.00135
1803 9.51000 794.22377 800.32597 0.00125
1804 9.51500 833.20631 844.64460 0.00118
1805 9.52000 850.08728 858.78924 0.00116
1806 9.52500 845.83667 848.54661 0.00118
1807 9.53000 828.19211 826.74553 0.00121
1808 9.53500 806.48809 801.33800 0.00125
1809 9.54000 786.67930 782.99231 0.00128
1810 9.54500 770.65504 768.18655 0.00130
1811 9.55000 758.33000 754.07533 0.00133
1812 9.55500 745.94273 736.00936 0.00136
1813 9.56000 726.15372 709.36106 0.00141
1814 9.56500 696.21959 678.24902 0.00147
1815 9.57000 662.21791 643.21875 0.00155
1816 9.57500 630.29632 610.79128 0.00164
1817 9.58000 601.40426 581.01277 0.00172
1818 9.58500 575.11954 556.35248 0.00180
1819 9.59000 552.46217 538.93527 0.00186
1820 9.59500 534.51120 525.88331 0.00190
1821 9.60000 521.40164 515.42804 0.00194
1822 9.60500 512.91221 507.90374 0.00197
1823 9.61000 508.80561 510.28030 0.00196
1824 9.61500 508.77667 512.80816 0.00195
1825 9.62000 512.37150 519.17787 0.00193
1826 9.62500 518.55353 530.87832 0.00188
1827 9.63000 525.58809 543.20229 0.00184
1828 9.63500 531.52952 553.27868 0.00181
1829 9.64000 535.39695 559.40500 0.00179
1830 9.64500 538.32848 563.43580 0.00177
1831 9.65000 543.06765 566.64742 0.00176
1832 9.65500 551.76800 574.42225 0.00174
1833 9.66000 564.07055 588.20364 0.00170
1834 9.66500 576.13705 606.63006 0.00165
1835 9.67000 582.26741 615.31843 0.00163
1836 9.67500 578.96034 614.25046 0.00163
1837 9.68000 567.52149 601.92072 0.00166
1838 9.68500 552.81574 581.72578 0.00172
1839 9.69000 539.78974 562.42725 0.00178
1840 9.69500 531.47779 547.54347 0.00183
1841 9.70000 529.42548 539.08661 0.00185
1842 9.70500 534.17999 538.58551 0.00186
1843 9.71000 545.48246 548.47687 0.00182
1844 9.71500 561.97104 565.31939 0.00177
1845 9.72000 579.79008 582.62655 0.00172
1846 9.72500 591.99106 597.15297 0.00167
1847 9.73000 592.29360 601.00923 0.00166
1848 9.73500 580.31912 589.97907 0.00169
1849 9.74000 561.58630 569.44010 0.00176
1850 9.74500 542.97457 548.09247 0.00182
1851 9.75000 528.89381 532.16108 0.00188
1852 9.75500 520.82699 523.40109 0.00191
1853 9.76000 518.44982 522.10533 0.00192
1854 9.76500 520.10205 525.95574 0.00190
1855 9.77000 522.78239 530.30525 0.00189
1856 9.77500 523.41036 534.24692 0.00187
1857 9.78000 521.56648 531.55906 0.00188
1858 9.78500 519.80890 526.22542 0.00190
1859 9.79000 521.14817 520.72949 0.00192
1860 9.79500 527.43644 525.71381 0.00190
1861 9.80000 539.22366 537.38948 0.00186
1862 9.80500 555.63495 553.98245 0.00181
1863 9.81000 574.15295 577.60435 0.00173
1864 9.81500 591.32877 598.71468 0.00167
1865 9.82000 605.01369 622.23020 0.00161
1866 9.82500 615.01991 642.48664 0.00156
1867 9.83000 620.62289 651.77740 0.00153
1868 9.83500 620.08268 649.31201 0.00154
1869 9.84000 614.19577 631.95830 0.00158
1870 9.84500 607.35257 612.96087 0.00163
1871 9.85000 603.99198 599.93889 0.00167
1872 9.85500 605.10665 593.76040 0.00168
1873 9.86000 607.24043 591.66828 0.00169
1874 9.86500 605.56453 586.87541 0.00170
1875 9.87000 599.55741 583.14988 0.00171
1876 9.87500 593.18794 577.54719 0.00173
1877 9.88000 590.08173 576.23330 0.00174
1878 9.88500 591.73408 578.92734 0.00173
1879 9.89000 597.04655 583.49299 0.00171
1880 9.89500 601.23417 590.48956 0.00169
1881 9.90000 598.71406 592.75588 0.00169
1882 9.90500 589.42106 581.35530 0.00172
1883 9.91000 578.55936 568.72727 0.00176
1884 9.91500 570.96968 558.32241 0.00179
1885 9.92000 569.54793 553.02542 0.00181
1886 9.92500 576.22341 557.40445 0.00179
1887 9.93000 592.19487 570.34024 0.00175
1888 9.93500 617.27302 594.57527 0.00168
1889 9.94000 648.32858 624.67283 0.00160
1890 9.94500 677.67317 657.04278 0.00152
1891 9.95000 696.01285 681.08544 0.00147
1892 9.95500 700.81801 691.80175 0.00145
1893 9.96000 698.72284 688.91907 0.00145
1894 9.96500 697.68494 684.36091 0.00146
1895 9.97000 701.36347 683.95866 0.00146
1896 9.97500 708.50459 693.45413 0.00144
1897 9.98000 713.92634 701.95446 0.00142
1898 9.98500 712.66592 703.27795 0.00142
1899 9.99000 704.54368 696.72544 0.00144
1900 9.99500 693.69539 682.61105 0.00146
1901 10.00000 683.05573 666.62908 0.00150
1902 10.00500 670.97213 651.12343 0.00154
1903 10.01000 654.03994 633.58327 0.00158
1904 10.01500 631.85397 611.54392 0.00164
1905 10.02000 608.57358 590.54446 0.00169
1906 10.02500 589.48326 572.80780 0.00175
1907 10.03000 577.06900 563.65266 0.00177
1908 10.03500 570.76125 557.11482 0.00179
1909 10.04000 568.84856 557.13978 0.00179
1910 10.04500 570.45846 558.17187 0.00179
1911 10.05000 576.14507 563.41274 0.00177
1912 10.05500 586.02772 578.41296 0.00173
1913 10.06000 597.13798 590.67306 0.00169
1914 10.06500 603.80412 597.04777 0.00167
1915 10.07000 602.20869 595.51548 0.00168
1916 10.07500 593.19081 587.78105 0.00170
1917 10.08000 579.75725 576.32631 0.00174
1918 10.08500 564.93876 565.40043 0.00177
1919 10.09000 550.80922 555.04896 0.00180
1920 10.09500 537.27087 544.77984 0.00184
1921 10.10000 523.13968 529.55089 0.00189
1922 10.10500 508.93158 515.04191 0.00194
1923 10.11000 496.69526 501.84451 0.00199
1924 10.11500 487.92406 488.85049 0.00205
1925 10.12000 482.93844 483.83223 0.00207
1926 10.12500 481.21089 484.06534 0.00207
1927 10.13000 481.56602 485.64823 0.00206
1928 10.13500 482.41255 489.18629 0.00204
1929 10.14000 482.72580 489.00906 0.00204
1930 10.14500 482.71142 487.58275 0.00205
1931 10.15000 483.15073 488.60364 0.00205
1932 10.15500 484.44048 486.70775 0.00205
1933 10.16000 486.50647 487.94409 0.00205
1934 10.16500 488.73759 490.47324 0.00204
1935 10.17000 489.64368 492.87753 0.00203
1936 10.17500 487.81830 495.15395 0.00202
1937 10.18000 483.57748 491.89548 0.00203
1938 10.18500 478.42656 488.89846 0.00205
1939 10.19000 473.65814 482.45953 0.00207
1940 10.19500 469.88767 477.67014 0.00209
1941 10.20000 466.96807 473.37787 0.00211
1942 10.20500 463.87249 472.43534 0.00212
1943 10.21000 459.77013 470.31965 0.00213
1944 10.21500 455.06347 467.69599 0.00214
1945 10.22000 450.91208 461.48137 0.00217
1946 10.22500 448.16337 456.32042 0.00219
1947 10.23000 447.19181 454.35192 0.00220
1948 10.23500 448.17325 453.27301 0.00221
1949 10.24000 451.18880 457.86015 0.00218
1950 10.24500 456.28246 463.09720 0.00216
1951 10.25000 463.19868 470.71664 0.00212
1952 10.25500 471.03932 478.32983 0.00209
1953 10.26000 478.12714 486.61535 0.00206
1954 10.26500 482.89629 493.54873 0.00203
1955 10.27000 484.99322 494.80137 0.00202
1956 10.27500 485.39071 491.65537 0.00203
1957 10.28000 486.05453 490.26640 0.00204
1958 10.28500 489.16698 487.90088 0.00205
1959 10.29000 496.23965 493.94015 0.00202
1960 10.29500 507.57272 505.80882 0.00198
1961 10.30000 522.00120 516.12971 0.00194
1962 10.30500 536.91234 530.08639 0.00189
1963 10.31000 549.77336 539.72612 0.00185
1964 10.31500 560.19612 546.91262 0.00183
1965 10.32000 569.02598 555.83464 0.00180
1966 10.32500 575.79913 559.54455 0.00179
1967 10.33000 578.60168 565.33706 0.00177
1968 10.33500 575.99302 566.33713 0.00177
1969 10.34000 568.96321 561.23206 0.00178
1970 10.34500 560.66565 551.23354 0.00181
1971 10.35000 554.48440 539.73706 0.00185
1972 10.35500 552.22706 534.46338 0.00187
1973 10.36000 553.53113 532.34978 0.00188
1974 10.36500 556.33218 528.88322 0.00189
1975 10.37000 557.11690 529.29204 0.00189
1976 10.37500 552.54731 528.16624 0.00189
1977 10.38000 542.67355 523.00483 0.00191
1978 10.38500 531.16742 516.31385 0.00194
1979 10.39000 521.99698 512.08687 0.00195
1980 10.39500 516.87540 514.56425 0.00194
1981 10.40000 514.87570 520.47150 0.00192
1982 10.40500 513.11647 522.85861 0.00191
1983 10.41000 508.63840 519.85959 0.00192
1984 10.41500 500.99671 512.78032 0.00195
1985 10.42000 492.54114 500.86874 0.00200
1986 10.42500 485.89175 488.18117 0.00205
1987 10.43000 482.12742 482.65973 0.00207
1988 10.43500 480.56366 485.17427 0.00206
1989 10.44000 479.14529 485.60418 0.00206
1990 10.44500 475.77755 485.23139 0.00206
1991 10.45000 470.10368 484.22339 0.00207
1992 10.45500 463.55966 477.33282 0.00209
1993 10.46000 457.83597 470.12878 0.00213
1994 10.46500 453.88382 464.96267 0.00215
1995 10.47000 451.97736 458.09482 0.00218
1996 10.47500 451.99928 452.92453 0.00221
1997 10.48000 453.45104 448.66088 0.00223
1998 10.48500 455.37437 449.90013 0.00222
1999 10.49000 456.87559 448.51432 0.00223
2000 10.49500 457.82904 447.29371 0.00224
2001 10.50000 458.88026 450.22190 0.00222
2002 10.50500 460.77312 457.09246 0.00219
2003 10.51000 463.76035 462.36748 0.00216
2004 10.51500 467.62710 465.77559 0.00215
2005 10.52000 472.14485 470.06717 0.00213
2006 10.52500 477.34319 474.20958 0.00211
2007 10.53000 483.38854 479.25156 0.00209
2008 10.53500 490.05770 479.37360 0.00209
2009 10.54000 496.08985 481.10753 0.00208
2010 10.54500 500.00663 487.20216 0.00205
2011 10.55000 501.72014 489.61991 0.00204
2012 10.55500 502.17029 491.78558 0.00203
2013 10.56000 501.90712 492.18974 0.00203
2014 10.56500 501.53093 492.35241 0.00203
2015 10.57000 502.53322 495.33757 0.00202
2016 10.57500 506.29508 503.88722 0.00198
2017 10.58000 512.61435 511.86466 0.00195
2018 10.58500 520.18696 521.52580 0.00192
2019 10.59000 528.22045 530.46913 0.00189
2020 10.59500 536.66171 538.50352 0.00186
2021 10.60000 544.80582 545.62707 0.00183
2022 10.60500 550.60683 552.09373 0.00181
2023 10.61000 551.72883 560.67300 0.00178
2024 10.61500 547.59093 562.39506 0.00178
2025 10.62000 539.37869 552.25904 0.00181
2026 10.62500 528.31566 537.53557 0.00186
2027 10.63000 515.73378 520.04828 0.00192
2028 10.63500 503.68483 504.22100 0.00198
2029 10.64000 493.86179 489.15949 0.00204
2030 10.64500 486.67632 480.21746 0.00208
2031 10.65000 481.92741 480.44185 0.00208
2032 10.65500 479.66389 480.29546 0.00208
2033 10.66000 479.83598 480.69976 0.00208
2034 10.66500 481.53653 483.58775 0.00207
2035 10.67000 483.32882 485.76977 0.00206
2036 10.67500 484.65562 485.22299 0.00206
2037 10.68000 486.45850 485.44085 0.00206
2038 10.68500 489.97939 489.59179 0.00204
2039 10.69000 495.38367 492.71995 0.00203
2040 10.69500 501.67068 498.92639 0.00200
2041 10.70000 507.93803 504.72192 0.00198
2042 10.70500 514.50527 512.84936 0.00195
2043 10.71000 522.24481 523.77909 0.00191
2044 10.71500 531.39185 537.54466 0.00186
2045 10.72000 540.96203 556.67000 0.00180
2046 10.72500 548.45587 571.47194 0.00175
2047 10.73000 550.60240 578.60196 0.00173
2048 10.73500 545.90636 570.61681 0.00175
2049 10.74000 536.31121 556.61284 0.00180
2050 10.74500 524.85358 537.13549 0.00186
2051 10.75000 512.68914 522.20096 0.00191
2052 10.75500 499.43773 504.34366 0.00198
2053 10.76000 485.26011 490.43817 0.00204
2054 10.76500 471.41204 477.67993 0.00209
2055 10.77000 459.25258 461.38956 0.00217
2056 10.77500 449.66342 448.16453 0.00223
2057 10.78000 443.05694 441.92530 0.00226
2058 10.78500 439.46928 438.73274 0.00228
2059 10.79000 438.78262 440.42991 0.00227
2060 10.79500 440.75947 439.70037 0.00227
2061 10.80000 445.05402 448.56822 0.00223
2062 10.80500 451.06658 455.76172 0.00219
2063 10.81000 457.79161 459.84403 0.00217
2064 10.81500 464.38038 460.59259 0.00217
2065 10.82000 471.18843 465.19506 0.00215
2066 10.82500 479.55265 469.84064 0.00213
2067 10.83000 490.16726 478.41474 0.00209
2068 10.83500 502.03362 488.92267 0.00205
2069 10.84000 512.89205 498.20403 0.00201
2070 10.84500 520.64770 508.50021 0.00197
2071 10.85000 524.61823 518.14559 0.00193
2072 10.85500 525.62802 520.86874 0.00192
2073 10.86000 524.84590 527.54294 0.00190
2074 10.86500 522.83850 528.96376 0.00189
2075 10.87000 519.27368 524.85072 0.00191
2076 10.87500 513.58289 518.31098 0.00193
2077 10.88000 506.10142 514.51391 0.00194
2078 10.88500 498.15292 505.22939 0.00198
2079 10.89000 491.34856 496.49018 0.00201
2080 10.89500 486.84449 490.94450 0.00204
2081 10.90000 485.03148 488.26964 0.00205
2082 10.90500 485.93709 486.32061 0.00206
2083 10.91000 489.29697 487.71458 0.00205
2084 10.91500 494.32657 495.21146 0.00202
2085 10.92000 500.03539 503.84084 0.00198
2086 10.92500 505.54615 513.23086 0.00195
2087 10.93000 509.58940 516.71083 0.00194
2088 10.93500 510.53548 518.02489 0.00193
2089 10.94000 507.90934 512.43862 0.00195
2090 10.94500 502.60958 503.25329 0.00199
2091 10.95000 495.36199 498.47716 0.00201
2092 10.95500 486.53120 486.55303 0.00206
2093 10.96000 477.04669 477.63067 0.00209
2094 10.96500 468.15701 467.40501 0.00214
2095 10.97000 460.62363 457.85428 0.00218
2096 10.97500 454.63787 455.70170 0.00219
2097 10.98000 450.21205 448.72780 0.00223
2098 10.98500 447.34246 452.85511 0.00221
2099 10.99000 445.83957 452.18709 0.00221
2100 10.99500 445.10087 456.08200 0.00219
2101 11.00000 444.10213 456.06619 0.00219
2102 11.00500 441.98454 450.14304 0.00222
2103 11.01000 438.90130 448.41165 0.00223
2104 11.01500 436.06539 445.42758 0.00225
2105 11.02000 434.93760 442.40367 0.00226
2106 11.02500 436.56588 440.77753 0.00227
2107 11.03000 441.53443 447.04999 0.00224
2108 11.03500 450.15201 454.08162 0.00220
2109 11.04000 462.39607 463.73913 0.00216
2110 11.04500 477.57630 477.61227 0.00209
2111 11.05000 493.96549 492.57006 0.00203
2112 11.05500 509.46972 508.11889 0.00197
2113 11.06000 522.76197 520.61094 0.00192
2114 11.06500 533.20205 525.07222 0.00190
2115 11.07000 539.47520 533.01370 0.00188
2116 11.07500 539.50236 537.04329 0.00186
2117 11.08000 532.48825 534.85683 0.00187
2118 11.08500 520.59559 523.38994 0.00191
2119 11.09000 507.47871 510.38444 0.00196
2120 11.09500 495.97353 491.91356 0.00203
2121 11.10000 487.55305 479.16023 0.00209
2122 11.10500 482.93488 475.42921 0.00210
2123 11.11000 482.43106 475.01015 0.00211
2124 11.11500 485.94337 483.93246 0.00207
2125 11.12000 492.59307 496.64748 0.00201
2126 11.12500 500.36853 506.19886 0.00198
2127 11.13000 506.58587 514.82946 0.00194
2128 11.13500 508.95669 515.06206 0.00194
2129 11.14000 506.30815 509.55127 0.00196
2130 11.14500 498.84983 501.97201 0.00199
2131 11.15000 488.50700 488.05083 0.00205
2132 11.15500 478.29976 469.60490 0.00213
2133 11.16000 470.69661 459.22038 0.00218
2134 11.16500 466.57926 454.05487 0.00220
2135 11.17000 465.47243 455.50257 0.00220
2136 11.17500 466.28090 462.29960 0.00216
2137 11.18000 467.72622 461.29188 0.00217
2138 11.18500 468.78496 462.83127 0.00216
2139 11.19000 469.48215 465.44133 0.00215
2140 11.19500 470.84588 460.79837 0.00217
2141 11.20000 473.97584 459.85925 0.00217
2142 11.20500 479.53783 469.11508 0.00213
2143 11.21000 487.49991 475.96760 0.00210
2144 11.21500 496.67298 485.75478 0.00206
2145 11.22000 504.44720 499.96860 0.00200
2146 11.22500 507.53392 504.67402 0.00198
2147 11.23000 504.22546 500.48619 0.00200
2148 11.23500 495.80782 488.10393 0.00205
2149 11.24000 485.21200 474.23448 0.00211
2150 11.24500 474.95581 463.96951 0.00216
2151 11.25000 466.18116 452.21113 0.00221
2152 11.25500 458.87137 451.22569 0.00222
2153 11.26000 452.66483 442.72087 0.00226
2154 11.26500 447.67013 441.54455 0.00226
2155 11.27000 444.64871 443.07925 0.00226
2156 11.27500 444.51739 442.74080 0.00226
2157 11.28000 447.72063 444.87468 0.00225
2158 11.28500 453.67156 452.52109 0.00221
2159 11.29000 460.53960 463.37788 0.00216
2160 11.29500 465.74578 473.38563 0.00211
2161 11.30000 467.21295 475.76357 0.00210
2162 11.30500 464.32953 473.32939 0.00211
2163 11.31000 457.96754 466.24519 0.00214
2164 11.31500 449.78632 460.39933 0.00217
2165 11.32000 441.46819 449.31580 0.00223
2166 11.32500 434.12846 443.26227 0.00226
2167 11.33000 428.21524 434.74048 0.00230
2168 11.33500 423.62137 435.18488 0.00230
2169 11.34000 419.88270 429.24314 0.00233
2170 11.34500 416.59432 420.83359 0.00238
2171 11.35000 413.83835 420.25093 0.00238
2172 11.35500 412.18127 419.67008 0.00238
2173 11.36000 411.94395 418.66214 0.00239
2174 11.36500 412.72240 419.74844 0.00238
2175 11.37000 413.50977 419.77635 0.00238
2176 11.37500 413.44362 413.94081 0.00242
2177 11.38000 412.31797 414.24364 0.00241
2178 11.38500 410.52930 420.10406 0.00238
2179 11.39000 408.42583 418.96666 0.00239
2180 11.39500 406.09349 416.78032 0.00240
2181 11.40000 403.73352 409.51159 0.00244
2182 11.40500 401.70599 411.97304 0.00243
2183 11.41000 400.14422 413.17602 0.00242
2184 11.41500 398.93964 415.73021 0.00241
2185 11.42000 398.07581 414.47003 0.00241
2186 11.42500 397.77088 409.86894 0.00244
2187 11.43000 398.44210 407.68340 0.00245
2188 11.43500 400.66608 407.07167 0.00246
2189 11.44000 405.03406 405.76406 0.00246
2190 11.44500 412.01235 411.12795 0.00243
2191 11.45000 421.95707 416.70050 0.00240
2192 11.45500 435.09650 427.36466 0.00234
2193 11.46000 451.30140 439.74529 0.00227
2194 11.46500 469.62500 453.59193 0.00220
2195 11.47000 487.62293 473.25046 0.00211
2196 11.47500 501.26795 481.20349 0.00208
2197 11.48000 507.20197 482.14893 0.00207
2198 11.48500 505.90591 479.93200 0.00208
2199 11.49000 501.25960 472.94149 0.00211
2200 11.49500 496.84471 472.13921 0.00212
2201 11.50000 493.64629 472.52495 0.00212
2202 11.50500 490.73385 469.35465 0.00213
2203 11.51000 486.97998 478.72075 0.00209
2204 11.51500 481.69161 480.04867 0.00208
2205 11.52000 474.66953 466.97793 0.00214
2206 11.52500 466.84582 464.13851 0.00215
2207 11.53000 459.92085 454.62168 0.00220
2208 11.53500 454.95140 447.07959 0.00224
2209 11.54000 451.79779 447.16587 0.00224
2210 11.54500 449.86197 447.42028 0.00224
2211 11.55000 448.89389 452.88365 0.00221
2212 11.55500 448.86826 455.74809 0.00219
2213 11.56000 449.36219 458.58845 0.00218
2214 11.56500 449.51103 460.18341 0.00217
2215 11.57000 448.69502 464.83091 0.00215
2216 11.57500 447.08962 463.95158 0.00216
2217 11.58000 445.69414 460.50777 0.00217
2218 11.58500 445.91952 455.81324 0.00219
2219 11.59000 448.95239 450.28624 0.00222
2220 11.59500 455.09144 452.49046 0.00221
2221 11.60000 463.40517 453.10750 0.00221
2222 11.60500 471.93886 468.07165 0.00214
2223 11.61000 478.56066 486.13716 0.00206
2224 11.61500 482.04000 484.30241 0.00206
2225 11.62000 482.49684 481.32952 0.00208
2226 11.62500 480.90925 477.04528 0.00210
2227 11.63000 478.32980 488.73553 0.00205
2228 11.63500 475.63598 473.12412 0.00211
2229 11.64000 473.86693 463.27706 0.00216
2230 11.64500 474.23612 470.73793 0.00212
2231 11.65000 477.37901 480.25063 0.00208
2232 11.65500 482.60089 497.94435 0.00201
2233 11.66000 488.04091 507.10704 0.00197
2234 11.66500 491.59769 502.40275 0.00199
2235 11.67000 491.95795 503.24306 0.00199
2236 11.67500 489.43451 495.94269 0.00202
2237 11.68000 485.62541 482.77133 0.00207
2238 11.68500 481.70350 472.35356 0.00212
2239 11.69000 477.37442 465.68307 0.00215
2240 11.69500 471.36195 466.67483 0.00214
2241 11.70000 462.86921 459.18642 0.00218

#==============================================================================
# Reflections Data Block
#==============================================================================
_reflns_number_total             972
_reflns_limit_h_min              ? #All of these - see table below
_reflns_limit_h_max              ?
_reflns_limit_k_min              ?
_reflns_limit_k_max              ?
_reflns_limit_l_min              ?
_reflns_limit_l_max              ?
_reflns_d_resolution_high        12.33935
_reflns_d_resolution_low         0.97583
# start Validation Reply Form
_vrf_CRYSC01_outputcif.cif       
;
PROBLEM: No recognised colour has been given for crystal colour.
RESPONSE: ...
;
_vrf_PLAT157_outputcif.cif       
;
PROBLEM: Non-standard Monoclinic Beta Angle less 90 Deg 85.33 Degree
RESPONSE: ...
;
# end Validation Reply Form
#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#
