XmlmmCIF equivalent: diffrn_refln
Data items in the DIFFRN_REFLN category record details about
the intensities measured in the diffraction data set
identified by _diffrn_refln.diffrn_id.
The DIFFRN_REFLN data items refer to individual intensity
measurements, and must be included in looped lists.
The DIFFRN_REFLNS data items specify the parameters that apply
to all intensity measurements in the particular diffraction
data set identified by _diffrn_reflns.diffrn_id.
XmlmmCIF equivalent: diffrn_refln/angle_chi
The diffractometer angle chi in degrees of a reflection. This
angle corresponds to the specified orientation matrix
and the original measured cell before any subsequent cell
transformations.
XmlmmCIF equivalent: diffrn_refln/angle_kappa
The diffractometer angle kappa in degrees of a reflection. This
angle corresponds to the specified orientation matrix
and the original measured cell before any subsequent cell
transformations.
XmlmmCIF equivalent: diffrn_refln/angle_omega
The diffractometer angle omega in degrees of a reflection. This
angle corresponds to the specified orientation matrix
and the original measured cell before any subsequent cell
transformations.
XmlmmCIF equivalent: diffrn_refln/angle_phi
The diffractometer angle phi in degrees of a reflection. This
angle corresponds to the specified orientation matrix
and the original measured cell before any subsequent cell
transformations.
XmlmmCIF equivalent: diffrn_refln/angle_psi
The diffractometer angle psi in degrees of a reflection. This
angle corresponds to the specified orientation matrix
and the original measured cell before any subsequent cell
transformations.
XmlmmCIF equivalent: diffrn_refln/angle_theta
The diffractometer angle theta in degrees of a reflection. This
angle corresponds to the specified orientation matrix
and the original measured cell before any subsequent cell
transformations.
XmlmmCIF equivalent: diffrn_refln/attenuator_code
The code identifying the attenuator setting for this reflection.
This code must match one of the _diffrn_attenuator.code values.
XmlmmCIF equivalent: diffrn_refln/counts_bg_1
The diffractometer counts for the measurement of the background
before the peak.
XmlmmCIF equivalent: diffrn_refln/counts_bg_2
The diffractometer counts for the measurement of the background
after the peak.
XmlmmCIF equivalent: diffrn_refln/counts_net
The diffractometer counts for the measurement of net counts after
background removal.
XmlmmCIF equivalent: diffrn_refln/counts_peak
The diffractometer counts for the measurement of counts for the
peak scan or position.
XmlmmCIF equivalent: diffrn_refln/counts_total
The diffractometer counts for the measurement of total counts
(background plus peak).
XmlmmCIF equivalent: diffrn_refln/detect_slit_horiz
Total slit aperture in degrees in the diffraction plane.
XmlmmCIF equivalent: diffrn_refln/detect_slit_vert
Total slit aperture in degrees perpendicular to the
diffraction plane.
XmlmmCIF equivalent: diffrn_refln/elapsed_time
Elapsed time in minutes from the start of diffraction measurement
to the measurement of this intensity.
XmlmmCIF equivalent: diffrn_refln/index_h
Miller index h of a diffraction reflection. The values of
the Miller indices in the DIFFRN_REFLN category need not match
the values of the Miller indices in the REFLN category if a
transformation of the original measured cell has taken place.
Details of the cell transformation are described in
_diffrn_reflns.reduction_process. See also
_diffrn_reflns.transf_matrix.
XmlmmCIF equivalent: diffrn_refln/index_k
Miller index k of a diffraction reflection. The values of
the Miller indices in the DIFFRN_REFLN category need not match
the values of the Miller indices in the REFLN category if a
transformation of the original measured cell has taken place.
Details of the cell transformation are described in
_diffrn_reflns.reduction_process. See also
_diffrn_reflns.transf_matrix.
XmlmmCIF equivalent: diffrn_refln/index_l
Miller index l of a diffraction reflection. The values of
the Miller indices in the DIFFRN_REFLN category need not match
the values of the Miller indices in the REFLN category if a
transformation of the original measured cell has taken place.
Details of the cell transformation are described in
_diffrn_reflns.reduction_process. See also
_diffrn_reflns.transf_matrix.
XmlmmCIF equivalent: diffrn_refln/intensity_net
Net intensity calculated from the diffraction counts after the
attenuator and standard scales have been applied.
XmlmmCIF equivalent: diffrn_refln/intensity_sigma
Standard uncertainty (e.s.d.) of the intensity calculated from
the diffraction counts after the attenuator and standard scales
have been applied.
XmlmmCIF equivalent: diffrn_refln/scale_group_code
The code identifying the scale applying to this reflection.
This data item is a pointer to _diffrn_scale_group.code in the
DIFFRN_SCALE_GROUP category.
XmlmmCIF equivalent: diffrn_refln/scan_mode
The code identifying the mode of scanning with a diffractometer.
See _diffrn_refln.scan_width and _diffrn_refln.scan_mode_backgd.
XmlmmCIF equivalent: diffrn_refln/scan_mode_backgd
The code identifying the mode of scanning a reflection to
measure the background intensity.
XmlmmCIF equivalent: diffrn_refln/scan_rate
The rate of scanning a reflection to measure the intensity in
degrees per minute.
XmlmmCIF equivalent: diffrn_refln/scan_time_backgd
The time spent measuring each background in seconds.
XmlmmCIF equivalent: diffrn_refln/scan_width
The scan width in degrees of the scan mode defined by the code
_diffrn_refln.scan_mode.
XmlmmCIF equivalent: diffrn_refln/sint_over_lambda
The (sin theta)/lambda value in reciprocal angstroms for this
reflection.
XmlmmCIF equivalent: diffrn_refln/standard_code
The code identifying that this reflection was measured as a
standard intensity.
This data item is a pointer to _diffrn_standard_refln.code in the
DIFFRN_STANDARD_REFLN category.
XmlmmCIF equivalent: diffrn_refln/wavelength
The mean wavelength in angstroms of radiation used to measure
the intensity of this reflection. This is an important parameter
for data collected using energy dispersive detectors or the
Laue method.
XmlmmCIF equivalent: diffrn_refln/wavelength_id
This data item is a pointer to _diffrn_radiation.wavelength_id in
the DIFFRN_RADIATION category.
XmlmmCIF equivalent: diffrn_refln/diffrn_id
This data item is a pointer to _diffrn.id in the DIFFRN
category.
XmlmmCIF equivalent: diffrn_refln/id
The value of diffrn_refln.id must uniquely identify the
reflection in the data set identified by the item
_diffrn_refln.diffrn_id.
Note that this item need not be a number; it can be any unique
identifier.