| Version |
Date |
Revision |
| 0.1 |
1997-01-24 |
First draft of this dictionary in DDL 2.1 compliant format by John
Westbrook (JW). This version was adapted from the Crystallographic
Binary File (CBF) Format Draft Proposal provided by Andy Hammersley (AH).
Modifications to the CBF draft (JW):
+ In this version the array description has been cast in the categories
ARRAY_STRUCTURE and ARRAY_STRUCTURE_LIST. These categories have been
generalized to describe array data of arbitrary dimension.
+ Array data in this description are contained in the category ARRAY_DATA
.
This departs from the CBF notion of data existing in some special comment.
In this description, data is handled as an ordinary data item encapsulated
in a character data type. Although handling binary data this manner
deviates from CIF conventions, it does not violate any DDL 2.1 rules.
DDL 2.1 regular expressions can be used to define the binary
representation which will permit some level of data validation. In
this version, the placeholder type code "any" has been used.
This translates to a regular expression which will match any pattern.
It should be noted that DDL 2.1 already supports array data objects
although these have not been used in the current mmCIF dictionary. It
may be possible to use the DDL 2.1 ITEM_STRUCTURE and ITEM_STRUCTURE_LIST
categories to provide the information that is carried in by the
ARRAY_STRUCTURE and ARRAY_STRUCTURE_LIST. By moving the array
structure to the DDL level it would be possible to define an array
type as well as a regular expression defining the data format.
+ Multiple array sections can be properly handled within a single datablock.
|
| 0.2 |
1997-12-02 |
Modifications to the CBF draft (JW):
+ Added category hierarchy for describing frame data developed from
discussions at the BNL imgCIF Workshop Oct 1997. The following
changes were made in implementing the workshop draft. Category
DIFFRN_ARRAY_DATA was renamed to DIFFRN_FRAME_DATA. Category
DIFFRN_FRAME_TYPE was renamed to DIFFRN_DETECTOR_ELEMENT. The
parent item for _diffrn_frame_data.array_id was changed from
array_structure_list.array_id to array_structure.id. Item
_diffrn_detector.array_id was deleted.
+ Added data item _diffrn_frame_data.binary_id to identify data groups
within a binary section. The formal identification of the binary section
is still fuzzy.
|
| 0.3 |
1998-07-04 |
Modifications for imgCIF (HJB)
+ Added binary type, which is a text field containing a variant on
MIME encoded data.
+ Changed type of _array_data.data to binary and specified internal
structure of raw binary data.
+ Added _array_data.binary_id, and made
_diffrn_frame_data.binary_id and _array_intensities.binary_id
into pointers to this item.
|
| 0.4 |
1998-08-11 |
Modifications to the 0.3 imgCIF draft (HJB)
+ Reflowed comment lines over 80 characters and corrected typos.
+ Updated examples and descriptions of MIME encoded data.
+ Change name to cbfext98.dic.
|
| 0.5 |
1999-01-01 |
Modifications for axis definitions and reduction of binary header (HJB)
+ Restored _diffrn_detector.diffrn_id to DIFFRN_DETECTOR KEY.
+ Added AXIS category.
+ Brought complete DIFFRN_DETECTOR and DIFFRN_MEASUREMENT categories
in from cif_mm.dic for clarity.
+ changed _array_structure.encoding_type from type code to uline and
added X-Binary-Element-Type to MIME header.
+ added detector beam center _diffrn_detector_element.center[1] and
_diffrn_detector_element.center[2]
+ corrected item name of _diffrn_refln.frame_id
+ replace reference to _array_intensities.undefined by
_array_intensities.undefined_value
+ replace references to _array_intensity.scaling with
_array_intensities.scaling
+ added DIFFRN_SCAN... categories
|
| 0.5.1 |
1999-01-03 |
Cleanup of typos and syntax errors (HJB)
+ Cleanup example details for DIFFRN_SCAN category.
+ Add missing quote marks for _diffrn_scan.id definition.
|
| 0.6.0 |
1999-01-14 |
Remove redundant information for ENC_NONE data (HJB)
+ After the D5 remove binary section identifier, size and
compression type.
+ Add Control-L to header.
|
| 0.7.0 |
2000-09-09 |
Respond to comments by I. David Brown (HJB)
+ Added further comments on '\n' and '\t'
+ Updated ITEM_UNITS_LIST by taking section from mmCIF dictionary
and adding metres. Changed all spelling 'meter' to 'metre' throughout.
+ Added missing enumerations to _array_structure.compression_type
and made 'none' the default.
+ Removed parent-child relationship between _array_structure_list.index
and _array_structure_list.precedence .
+ Improve alphabetization.
+ Fix _array_intensities_gain.esd related function.
+ Improved comments in AXIS.
+ Fixed DIFFRN_FRAME_DATA example.
+ Removed erroneous DIFFRN_MEASUREMENT example.
+ Added _diffrn_measurement_axis.id to the category key.
|
| 0.7.1 |
2000-09-29 |
Cleanup fixes (JW)
+ Correct spelling of diffrn_measurement_axis in _axis.id
+ Correct ordering of uses of _item.mandatory_code and _item_default.value
|
| 1.0 |
2000-12-21 |
Release version - few typos and tidying up (BM & HJB)
+ Move ITEM_TYPE_LIST, ITEM_UNITS_LIST and DICTIONARY_HISTORY to end
of dictionary.
+ Alphabetize dictionary.
|
| 1.1 |
2001-02-06 |
Draft resulting from discussions on header for use at NSLS (HJB)
+ Change DIFFRN_FRAME_DATA to DIFFRN_DATA_FRAME
+ Change '_diffrn_detector_axis.id' to '_diffrn_detector_axis.detector_id'.
+ Add '_diffrn_measurement_axis.measurement_device' and change
'_diffrn_measurement_axis.id' to '_diffrn_measurement_axis.measurement_id'.
+ Add '_diffrn_radiation.div_x_source', '_diffrn_radiation.div_y_source',
'_diffrn_radiation.div_x_y_source', '_diffrn_radiation.polarizn_source_norm'
,
'_diffrn_radiation.polarizn_source_ratio', '_diffrn_scan.date_end',
'_diffrn_scan.date_start', '_diffrn_scan_axis.angle_rstrt_incr',
'_diffrn_scan_axis.displacement_rstrt_incr',
'_diffrn_scan_frame_axis.angle_increment',
'_diffrn_scan_frame_axis.angle_rstrt_incr',
'_diffrn_scan_frame_axis.displacement',
'_diffrn_scan_frame_axis.displacement_increment',and
'_diffrn_scan_frame_axis.displacement_rstrt_incr'.
+ Add _diffrn_measurement.device to category key
+ Update yyyy-mm-dd to allow optional time with fractional seconds
for time stamps.
+ Fix typos caught by RS.
+ Add ARRAY_STRUCTURE_LIST_AXIS category, and use concept of axis sets to al
low
for coupled axes, as in spiral scans.
+ Add examples for fairly complete headers thanks to R. Sweet and P.
Ellis.
|
| 1.1.1 |
2001-02-16 |
Several typo corrections by JW
|
| 1.1.2 |
2001-03-06 |
Several typo corrections by Wilfred Li
|
| 1.1.3 |
2001-04-19 |
Another typo corrections by Wilfred Li, and cleanup by HJB
|
