78.57.ansi b36.199.10. 有什么...

# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
_shelx_title '
C12 H19 N3 O7 S'
_shelx_refln_list_code
_shelx_F_calc_maximum
_exptl_crystal_F_000
_reflns_d_resolution_high
_symmetry_equiv_pos_as_xyz
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
_cell_length_a
_cell_length_b
_cell_length_c
_cell_angle_alpha
_cell_angle_beta
_cell_angle_gamma
_shelx_F_squared_multiplier
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status# h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag
_shelx_title '
GNAg in Pca2(1)'
_shelx_refln_list_code
_shelx_F_calc_maximum
_exptl_crystal_F_000
_reflns_d_resolution_high
_symmetry_equiv_pos_as_xyz
'-x, -y, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z'
_cell_length_a
_cell_length_b
_cell_length_c
_cell_angle_alpha
_cell_angle_beta
_cell_angle_gamma
_shelx_F_squared_multiplier
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status

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