# 
# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag 
# 
# This file contains structure factors for 2b, 3b, 4 and 4b before implementation of SQUEEZE.

data_2b
 
_shelx_refln_list_code          4 
_shelx_F_calc_maximum      181.90 
_exptl_crystal_F_000       663.00 
_reflns_d_resolution_high  0.7496 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a     7.6349 
_cell_length_b    10.4211 
_cell_length_c    19.9971 
_cell_angle_alpha  89.282 
_cell_angle_beta   85.528 
_cell_angle_gamma  74.559 
 
_shelx_F_squared_multiplier     1.000 
 
 
#=== END

data_3b

_shelx_refln_list_code          4 
_shelx_F_calc_maximum      196.68 
_exptl_crystal_F_000       663.00 
_reflns_d_resolution_high  0.7516 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a     7.6792 
_cell_length_b    10.3679 
_cell_length_c    20.3093 
_cell_angle_alpha  88.860 
_cell_angle_beta   83.313 
_cell_angle_gamma  74.806 
 
_shelx_F_squared_multiplier     1.000 
 
                                                 
#=== END

data_4

_shelx_refln_list_code          4 
_shelx_F_calc_maximum      195.69 
_exptl_crystal_F_000       670.00 
_reflns_d_resolution_high  0.7593 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a     7.6538 
_cell_length_b    10.3862 
_cell_length_c    20.0151 
_cell_angle_alpha  89.123 
_cell_angle_beta   85.401 
_cell_angle_gamma  74.290 
 
_shelx_F_squared_multiplier     1.000 
 
                                                 
#=== END

data_4b

_shelx_refln_list_code          4 
_shelx_F_calc_maximum      196.23 
_exptl_crystal_F_000       643.00 
_reflns_d_resolution_high  0.7383 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a     7.6539 
_cell_length_b    10.4086 
_cell_length_c    19.9855 
_cell_angle_alpha  89.076 
_cell_angle_beta   85.488 
_cell_angle_gamma  74.237 
 
_shelx_F_squared_multiplier     1.000 
 
                                                 

                                                
