International Tables for Crystallography (2006). Vol. G. ch. 3.3, pp. 117-130
https://doi.org/10.1107/97809553602060000735 |
Chapter 3.3. Classification and use of powder diffraction data
Chapter index
ab initio structure determination 3.3.5.4
Acta Crystallographica 3.3.9.1
analyser 3.3.8.4
apparatus
pdCIF 3.3.4.3
ATOM_SITE
_atom_site_fract_x 3.3.10.1
_atom_site_fract_y 3.3.10.1
_atom_site_fract_z 3.3.10.1
_atom_site_label 3.3.10.1
_atom_site_occupancy 3.3.10.1
_atom_site_U_iso_or_equiv 3.3.10.1
ATOM_TYPE
_atom_type_analytical_mass_% 3.3.4.1
axes
rocking 3.3.8.8
calibration 3.3.8
category
diverse contents of category in pdCIF 3.3.3
category key
alternative (PD_DATA) 3.3.4.4
CHEMICAL
_chemical_melting_point 3.3.4.1
chemistry
pdCIF 3.3.6
CIF
syntax 3.3.2
collimation 3.3.8
crystal
colour 3.3.4.1
data collection
pdCIF data items 3.3.4.4
data structure 3.3.8.6
dictionary
pdCIF 3.3.1
DIFFRN_RADIATION_WAVELENGTH
_diffrn_radiation_wavelength 3.3.10.1
_diffrn_radiation_wavelength_id 3.3.5.3
experimental measurements
pdCIF data items 3.3.4
EXPTL_CRYSTAL
_exptl_crystal_colour 3.3.4.1
EXPTL
_exptl_absorpt_coefficient_mu 3.3.4.1
external reference file
standard instrument settings 3.3.8
image data 3.3.2
imgCIF 3.3.8.6
instrumentation
pdCIF 3.3.4.3
intensity measurements
binning 3.3.8.5
International Centre for Diffraction Data (ICDD) 3.3.5.4
metadata 3.3.7
monochromatization 3.3.8
mounting 3.3.4.2
multichannel analyser 3.3.8.4
_pd_calib_std_internal_name 3.3.4.3
PD_DATA 3.3.3, 3.3.3, 3.3.4, 3.3.4, 3.3.4.3, 3.3.4.4, 3.3.4.4, 3.3.5, 3.3.5, 3.3.5, 3.3.5, 3.3.5, 3.3.5.1, 3.3.5.2
_pd_instr_beam_size_ax 3.3.4.3
_pd_instr_var_illum_len 3.3.4.3
_pd_meas_2theta_scan 3.3.9.1
_pd_meas_angle_phi 3.3.8.8
_pd_meas_counts_background 3.3.8.7
_pd_meas_counts_container 3.3.8.7
_pd_meas_point_id 3.3.4.4
_pd_meas_position 3.3.8.6
_pd_meas_rocking_angle 3.3.8.8
_pd_meas_time_of_flight 3.3.9.1
_pd_proc_intensity_bkg_calc 3.3.5.1
_pd_proc_intensity_bkg_fix 3.3.5.1
_pd_proc_intensity_incident 3.3.5.1
_pd_proc_intensity_norm 3.3.5.1
_pd_proc_intensity_total 3.3.9.1
_pd_proc_ls_weight 3.3.9.1
_pd_proc_wavelength 3.3.5.1
_pd_instr_2theta_monochr_pre 3.3.4.3
_pd_instr_cons_illum_flag 3.3.4.3
_pd_instr_dist_src/mono 3.3.4.3
_pd_instr_dist_src/spec 3.3.4.3
_pd_instr_location 3.3.4.3
_pd_instr_monochr_pre_spec 3.3.4.3
_pd_instr_source_size_ax 3.3.4.3
_pd_instr_source_size_eq 3.3.4.3
PD_MEAS 3.3.4
_pd_meas_datetime_initiated 3.3.4.4
_pd_meas_rocking_axis 3.3.8.8
_pd_meas_units_of_intensity 3.3.8.2
_pd_peak_2theta_centroid 3.3.5.3
_pd_peak_d_spacing 3.3.5.3
_pd_peak_intensity 3.3.5.3
_pd_peak_pk_height 3.3.5.3
_pd_peak_width_2theta 3.3.5.3
_pd_peak_width_d_spacing 3.3.5.3
PD_PROC 3.3.5
_pd_proc_info_data_reduction 3.3.5.1
_pd_proc_info_datetime 3.3.5.1
_pd_proc_info_excluded_regions 3.3.5.1
_pd_proc_ls_background_function 3.3.5.1
_pd_spec_mount_mode 3.3.4.2
_pd_spec_orientation 3.3.4.2
_pd_spec_preparation 3.3.4.2
_pd_spec_shape 3.3.4.2
pdCIF
chemistry 3.3.6
classification and use 3.3.1
data collection 3.3.4.4
design considerations 3.3.2
examples of use 3.3.7.1
experimental measurements 3.3.4
measured intensities 3.3.4.4
naming convention for data items 3.3.3
processed intensities 3.3.5.1
structural model 3.3.6
structure analysis 3.3.5
pdCIFplot 3.3.9
position-sensitive detector 3.3.1
powder diffraction 3.3.1
preferred orientation 3.3.8.8
profile fitting 3.3.5.1
radiation detector 3.3.8
radiation source 3.3.8
radiation type 3.3.4.3
refinement
pdCIF 3.3.5.1
_refln_d_spacing 3.3.5.4
_refln_F_squared_meas 3.3.5.4
_refln_index_h 3.3.5.4
_refln_index_k 3.3.5.4
_refln_index_l 3.3.5.4
_refln_intensity_calc 3.3.5.4
_refln_intensity_meas 3.3.5.4
single pulse-counting detectors 3.3.8.1
standard uncertainty
intensity measurements 3.3.8.2
structural model
pdCIF 3.3.6
structure analysis
pdCIF 3.3.5
synchrotron research 3.3.7.1
texture 3.3.8.8
web sites
IUCr journals: http://journals.iucr.org 3.3.9.1