data
pd-neut-cwl pd-neut-tof pd-xray pd-neut-total pd-xray-total
id
| Access | Source |
|---|---|
| data['ID'].id | code |
| _data.id | Edi |
| _pd_data.point_id | pdCIF |
Identifier for this data point in the dataset.
two_theta
| Access | Source |
|---|---|
| data['ID'].two_theta | code |
| _data.two_theta | Edi |
| _pd_proc.2theta_scan | pdCIF |
Measured 2θ diffraction angle.
time_of_flight
| Access | Source |
|---|---|
| data['ID'].time_of_flight | code |
| _data.time_of_flight | Edi |
| _pd_meas.time_of_flight | pdCIF |
Measured time for time-of-flight neutron measurement.
d_spacing
| Access | Source |
|---|---|
| data['ID'].d_spacing | code |
| _data.d_spacing | Edi |
| _pd_proc.d_spacing | pdCIF |
d-spacing value corresponding to this data point.
intensity_meas
| Access | Source |
|---|---|
| data['ID'].intensity_meas | code |
| _data.intensity_meas | Edi |
| _pd_meas.intensity_total | pdCIF |
Intensity recorded at each measurement point (angle/time).
intensity_meas_su
| Access | Source |
|---|---|
| data['ID'].intensity_meas_su | code |
| _data.intensity_meas_su | Edi |
| _pd_meas.intensity_total_su | pdCIF |
Standard uncertainty of the measured intensity at this point.
intensity_calc
| Access | Source |
|---|---|
| data['ID'].intensity_calc | code |
| _data.intensity_calc | Edi |
| _pd_calc.intensity_total | pdCIF |
Intensity of a computed diffractogram at this point.
intensity_bkg
| Access | Source |
|---|---|
| data['ID'].intensity_bkg | code |
| _data.intensity_bkg | Edi |
| _pd_calc.intensity_bkg | pdCIF |
Intensity of a computed background at this point.
calc_status
| Access | Source |
|---|---|
| data['ID'].calc_status | code |
| _data.calc_status | Edi |
| _pd_data.refinement_status | pdCIF |
Status code of the data point in calculation. Supported values include
incl and excl.
r
| Access | Source |
|---|---|
| data['ID'].r | code |
| _data.r | Edi |
| _pd_proc.r | pdCIF |
Interatomic distance in real space.
g_r_meas
| Access | Source |
|---|---|
| data['ID'].g_r_meas | code |
| _data.g_r_meas | Edi |
| _pd_meas.intensity_total | pdCIF |
Measured pair distribution function G(r).
g_r_meas_su
| Access | Source |
|---|---|
| data['ID'].g_r_meas_su | code |
| _data.g_r_meas_su | Edi |
| _pd_meas.intensity_total_su | pdCIF |
Standard uncertainty of measured G(r).
g_r_calc
| Access | Source |
|---|---|
| data['ID'].g_r_calc | code |
| _data.g_r_calc | Edi |
| _pd_calc.intensity_total | pdCIF |
Calculated pair distribution function G(r).