Dictionary Index mmcif_img.dic
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General 
- Dictionary title
- imgCIF/CBF Extension Dictionary
- Dictionary description
- Extension to the mmCIF dictionary describing image data collection and compact binary representation of diffraction image data
- Original developers
- Andy Hammersley, Herbert J. Bernstein, I. David Brown, and John Westbrook
- Dictionary maintainers
- IUCr
- Dictionary name
- mmcif_img.dic
- Dictionary version
- 1.8.4
- Last update
- 2021-03-16
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Dictionary Revision History
| Version | Revision Date | Revision Description | |
|---|---|---|---|
| 1.8.4 | 2021-03-16 | Copy-editing refinements (bm) + Add _item_related.related_name and "_item_related.function_code replacedby" to deprecated items. + Add "_item_default.value ." to *_variant items + Change uses of \%Angstroms to \%angstr\"oms + Change category save frames to upper case names + Fix misssing superscript terminating ^ |
mmcif_img.dic |
| 1.8.3 | 2021-02-28 | Correction as per Brian McMahon + Fix _item.name for _array_structure_list.array_section_id + Remove spurious _item_aliases.alias_name from _diffrn_radiation.polarisn_ratio_esd + Remove spurious reference to _diffrn_scan_frame.time_rstrt_incr + Provide missing _diffrn_scan_frame_monitor.monitor_value definition + Deprecate _diffrn_scan_frame_monitor.value |
mmcif_img.dic |
| 1.8.2 | 2021-02-21 | Corrections and additions for ITVG 2021 + Add McStas as an axis coordinate system + Add _array_intensities.underload as optional + Add _diffrn_scan_collection.details as optional + Add _diffrn_scan_collection.variant as optional |
mmcif_img.dic |
| 1.8.1 | 2021-01-30 | Copy-paste error corrections (JRH) + Fix double underscore in _diffrn_data_frame.center_derived + Fix wrong _item.name in _diffrn_scan.date_end_estimated + Fix wrong _item.mandatory_code in _diffrn_scan_frame_monitor.frame_id + Fix wrong _item.mandatory_code in _variant.variant_of |
mmcif_img.dic |
| 1.8.0 | 2021-01-24 | Changes for 2021 ITVG and conformance with Gold Standard and NXmx (HJB) + Add _diffrn_data_frame.center_derived as optional + Add _diffrn_measurement.sample_detector_distance_derived as optional + Change _diffrn_scan.date_start to mandatory + Add _diffrn_scan.date_end_estimated as mandatory + Fix .array_id and .binary_id columns to be implicit in all cases to facilitate mini_cbfs |
mmcif_img.dic |
| 1.7.11 | 2018-12-03 | Changes for CBFlib 0.9.6 release (HJB) + Remove _array_structure_list.array_section_id + Revisions to _category.NX_mapping_details in most categories for array sections. + Change to uniform use of entry:NXentry + Change to uniform use of identification of NXdetector by detector element + Change to uniform use of data_ARRAYID_BINARYID + Add _array_structure_list.array_section_id + Add _map_segment.mask_array_section_id + Add _diffrn_scan_collection.scan_id + Add _diffrn_scan_collection.type + Add _diffrn_scan_collection.translation_width + Add _diffrn_radiation.beam_width + Add _diffrn_radiation.beam_height + Add _diffrn_radiation.beam_flux |
mmcif_img.dic |
| 1.7.10 | 2014-04-25 | Additions of esd's to polarization tags. Change to NeXus mapping to use NXtransformations instead of NXpoise (HJB) + Add _diffrn_radiation.polarisn_norm_esd, _diffrn_radiation.polarisn_ratio_esd, _diffrn_radiation.polarizn_source_norm_esd, _diffrn_radiation.polarizn_source_ratio_esd, _diffrn_radiation.polarizn_Stokes_I_esd, _diffrn_radiation.polarizn_Stokes_Q_esd, _diffrn_radiation.polarizn_Stokes_U_esd, _diffrn_radiation.polarizn_Stokes_V_esd, _diffrn_scan_frame.polarizn_Stokes_I_esd, _diffrn_scan_frame.polarizn_Stokes_Q_esd, _diffrn_scan_frame.polarizn_Stokes_U_esd, _diffrn_scan_frame.polarizn_Stokes_V_esd. + Change NeXus mapping for ARRAY_STRUCTURE_LIST ARRAY_STRUCTURE_LIST_AXIS, AXIS, DIFFRN_DETECTOR_AXIS, DIFFRN_MEASUREMENT_AXIS, DIFFRN_SCAN_FRAME_AXIS. |
mmcif_img.dic |
| 1.7.9 | 2014-04-05 | Corrections to Stokes parameter description. (HJB) + Clarify the meaning of _diffrn_radiation.polarizn_Stokes_I and _diffrn_scan_frame.polarizn_Stokes_I to explicitly include non-polarized component. + Provide missing factor of 2 in _diffrn_radiation.polarizn_Stokes_V description and _diffrn_scan_frame.polarizn_Stokes_V description. |
mmcif_img.dic |
| 1.7.8 | 2014-02-22 | Minor changes to NeXus mapping. (HJB) + Conform NeXus mapping of DIFFRN_DETECTOR to neXus NXdetector base class terminology + Add _diffrn_detector.gain_setting to handle the reverse mapping from NeXus of the equivalent field in NXdetector. |
mmcif_img.dic |
| 1.7.7 | 2014-02-22 | Major changes to NeXus mapping to conform to JS functional mapping prototype, add Stoke parameter tags for polarization and beam intensity, and add an new tag for FEL axes (HJB) + Add _axis.equipment_component, _diffrn_radiation.polarizn_Stokes_I, _diffrn_radiation.polarizn_Stokes_Q, _diffrn_radiation.polarizn_Stokes_U, _diffrn_radiation.polarizn_Stokes_V, _diffrn_scan_frame.polarizn_Stokes_I, _diffrn_scan_frame.polarizn_Stokes_Q, _diffrn_scan_frame.polarizn_Stokes_U, _diffrn_scan_frame.polarizn_Stokes_V. + Remove erroneous type code from _diffrn_scan_frame_monitor.value. + Update dictionary version |
mmcif_img.dic |
| 1.7.6 | 2013-10-29 | To avoid a conflict with PDB software, remove the null value enumeration for _variant.role (HJB) |
mmcif_img.dic |
| 1.7.5 | 2013-10-27 | At request of JW for the PDB move _category.NX_mapping_details to be adjacent to other category tags. (HJB) |
mmcif_img.dic |
| 1.7.4 | 2013-10-23 | Minor cleanup and remove spurious tag + remove spurious _array_structure_list_section.array_set_id references. (JS) + Change case of category names to conform to PDB conventions. (JW) |
mmcif_img.dic |
| 1.7.3 | 2013-10-15 | Major cleanup of dictionary typos, misplaced loops, etc by John Westbrook + Change _item.mandatory_code of all *.variant to implicit + Add _diffrn_refln.id and _diffrn_refln.diffrn_id + Correct many _item.name values that were wrong or missing quote marks |
mmcif_img.dic |
| 1.7.2 | 2013-10-07 | Add FEL detector positioning tags and change back to NXgoniometer + Add _axis.rotation_axis and _axis.rotation and + Change NXsample back to NXgoniometer |
mmcif_img.dic |
| 1.7.1 | 2013-08-10 | Minor cleanup (HJB) + Correction to description of _diffrn_data_frame.array_section_id + Change NXgoniometer to NXsample + Fix typos in NeXus mappings |
mmcif_img.dic |
| 1.7 | 2013-06-18 | Additions to start merge of CBF, HDF5 and NeXus (HJB) + Define new ARRAY_STRUCTURE_LIST_SECTION category + Add new _category.NX_mapping_details DDL tag to carry details on NeXus category mappings. + Define new tags _array_structure_list_section.array_id, _array_structure_list_section.id, _array_structure_list_section.index, _array_structure_list_section.end, _array_structure_list_section.start, _array_structure_list_section.stride, _array_structure_list_section.variant, _diffrn_data_frame.array_section_id, _diffrn_detector.layer_thickness, _map_segment.array_section_id, _map_segment.mask_array_section_id |
mmcif_img.dic |
| 1.6.4 | 2011-07-02 | Corrections to support DLS Dectris header as per G. Winter (HJB) + Define new tags _diffrn_scan.time_period, _diffrn_scan.time_rstrt_incr, _diffrn_scan_frame.time_period, _diffrn_scan_frame.time_rstrt_incr + fix bad category name in loop in _diffrn_detector.id + remove stray text field terminator at line 4642 + fix unquoted tag as a value in _diffrn_scan_frame_monitor.id + make formerly mandatory and implicit deprecated items non-mandatory |
mmcif_img.dic |
| 1.6.3 | 2010-08-26 | Cumulative corrections from 1.6.0, 1, 2 drafts (HJB) + Move descriptive dictionary comments into _datablock.description with category tree described + add default _array_data.array_id value of 1 + add option of CBF_BACKGROUND_OFFSET_DELTA compression + add VARIANT category and tags + add DIFFRN_SCAN_FRAME_MONITOR category |
mmcif_img.dic |
| 1.5.4 | 2007-07-28 | Typographics corrections (HJB) + Corrected embedded degree characters to \% + Corrected embedded Aring to \%A + Added trailing ^ for a power + Removed 2 cases of a space after an underscore in tag name. |
mmcif_img.dic |
| 1.5.3 | 2007-07-08 | Changes to support SLS miniCBF and suggestions from the 24 May 07 BNL imgCIF workshop (HJB) + Added new data items '_array_data.header_contents', '_array_data.header_convention', '_diffrn_data_frame.center_fast', '_diffrn_data_frame.center_slow', '_diffrn_data_frame.center_units', '_diffrn_measurement.sample_detector_distance', '_diffrn_measurement.sample_detector_voffset + Deprecated data items '_diffrn_detector_element.center[1]', '_diffrn_detector_element.center[2]' + Added comments and example on miniCBF + Changed all array_id data items to implicit |
mmcif_img.dic |
| 1.5.2 | 2007-05-06 | Further clarifications of the coordinate system. (HJB) | mmcif_img.dic |
| 1.5.1 | 2007-04-26 | Improve definition of X-axis to cover the case of no goniometer and clean up more line folds (HJB) |
mmcif_img.dic |
| 1.5 | 2007-07-25 | This is a cumulative list of the changes proposed since the imgCIF workshop in Hawaii in July 2006. It is the result of contributions by H. J. Bernstein, A. Hammersley, J. Wright and W. Kabsch. 2007-02-19 Consolidated changes (edited by HJB) + Added new data items '_array_structure.compression_type_flag', '_array_structure_list_axis.fract_displacement', '_array_structure_list_axis.displacement_increment', '_array_structure_list_axis.reference_angle', '_array_structure_list_axis.reference_displacement', '_axis.system', '_diffrn_detector_element.reference_center_fast', '_diffrn_detector_element.reference_center_slow', '_diffrn_scan_axis.reference_angle', '_diffrn_scan_axis.reference_displacement', '_map.details', '_map.diffrn_id', '_map.entry_id', '_map.id', '_map_segment.array_id', '_map_segment.binary_id', '_map_segment.mask_array_id', '_map_segment.mask_binary_id', '_map_segment.id', '_map_segment.map_id', '_map_segment.details. + Change type of '_array_structure.byte_order' and '_array_structure.compression_type' to ucode to make these values case-insensitive + Add values 'packed_v2' and 'byte_offset' to enumeration of values for '_array_structure.compression_type' + Add to definitions for the binary data type to handle new compression types, maps, and a variety of new axis types. 2007-07-25 Cleanup of typos for formal release (HJB) + Corrected text fields for reference_ tag descriptions that were off by one column + Fix typos in comments listing fract_ tags + Changed name of release from 1.5_DRAFT to 1.5 + Fix unclosed text fields in various map definitions |
mmcif_img.dic |
| 1.4 | 2006-07-04 | This is a change to reintegrate all changes made in the course of publication of ITVG, by the RCSB from April 2005 through August 2008 and changes for the 2006 imgCIF workshop in Hawaii. 2006-07-04 Consolidated changes for the 2006 imgCIF workshop (edited by HJB) + Correct type of '_array_structure_list.direction' from 'int' to 'code'. + Added new data items suggested by CN '_diffrn_data_frame.details' '_array_intensities.pixel_fast_bin_size', '_array_intensities.pixel_slow_bin_size and '_array_intensities.pixel_binning_method + Added deprecated item for completeness '_diffrn_frame_data.details' + Added entry for missing item in contents list '_array_structure_list_axis.displacement' + Added new MIME type X-BASE32K based on work by VL, KM, GD, HJB + Correct description of MIME boundary delimiter to start in column 1. + General cleanup of text fields to conform to changes for ITVG by removing empty lines at start and finish of text field. + Amend example for ARRAY_INTENSITIES to include binning. + Add local copy of type specification (as 'code') for all children of '_diffrn.id'. + For consistency, change all references to 'pi' to '\p' and all references to 'Angstroms' to '\%Angstroms'. + Clean up all powers to use IUCr convention of '^power^', as in '10^3^' for '10**3'. + Update 'yyyy-mm-dd' type regex to allow truncation from the right and improve comments to explain handling of related mmCIF 'yyyy-mm-dd:hh:mm' type, and use of 'Z' for GMT time zone. 2005-03-08 and 2004-08-08 fixed cases where _item_units.code used instead of _item_type.code (JDW) 2004-04-15 fixed item ordering in _diffrn_measurement_axis.measurement_id added sub_category 'vector' (JDW) |
mmcif_img.dic |
| 1.3.2 | 2005-06-25 | 2005-06-25 ITEM_TYPE_LIST: code, ucode, line, uline regexps updated to those of current mmCIF; float modified by allowing integers terminated by a point as valid. The 'time' part of yyyy-mm-dd types made optional in the regexp. (BM) 2005-06-17 Minor corrections as for proofs for IT G Chapter 4.6 (NJA) 2005-02-21 Minor corrections to spelling and punctuation (NJA) 2005-01-08 Changes as per Nicola Ashcroft. + Updated example 1 for DIFFRN_MEASUREMENT to agree with mmCIF. + Spelled out "micrometres" for "um" and "millimetres" for "mm". + Removed phrase "which may be stored" from ARRAY_STRUCTURE description. + Removed unused 'byte-offsets' compressions and updated cites to ITVG for '_array_structure.compression_type'. (HJB) |
mmcif_img.dic |
| 1.3.1 | 2003-08-13 | Changes as per Frances C. Bernstein. + Identify initials. + Adopt British spelling for centre in text. + Set \p and \%Angstrom and powers. + Clean up commas and unclear wordings. + Clean up tenses in history. Changes as per Gotzon Madariaga. + Fix the ARRAY_DATA example to align '_array_data.binary_id' and X-Binary-ID. + Add a range to '_array_intensities.gain_esd'. + In the example of DIFFRN_DETECTOR_ELEMENT, '_diffrn_detector_element.id' and '_diffrn_detector_element.detector_id' interchanged. + Fix typos for direction, detector and axes. + Clarify description of polarisation. + Clarify axes in '_diffrn_detector_element.center[1]' '_diffrn_detector_element.center[2]'. + Add local item types for items that are pointers. (HJB) |
mmcif_img.dic |
| 1.3.0 | 2003-07-24 | Changes as per Brian McMahon. + Consistently quote tags embedded in text. + Clean up introductory comments. + Adjust line lengths to fit in 80 character window. + Fix several descriptions in AXIS category which referred to '_axis.type' instead of the current item. + Fix erroneous use of deprecated item '_diffrn_detector_axis.id' in examples for DIFFRN_SCAN_AXIS. + Add deprecated items '_diffrn_detector_axis.id' and '_diffrn_measurement_axis.id'. (HJB) |
mmcif_img.dic |
| 1.2.4 | 2003-07-14 | Changes as per I. David Brown. + Enhance descriptions in DIFFRN_SCAN_AXIS to make them less dependent on the descriptions in DIFFRN_SCAN_FRAME_AXIS. + Provide a copy of the deprecated DIFFRN_FRAME_DATA category for completeness. (HJB) |
mmcif_img.dic |
| 1.2.3 | 2003-07-03 | Cleanup to conform to ITVG. + Correct sign error in ..._cubed units. + Correct '_diffrn_radiation.polarisn_norm' range. (HJB) |
mmcif_img.dic |
| 1.2.2 | 2003-03-10 | Correction of typos in various DIFFRN_SCAN_AXIS descriptions. (HJB) |
mmcif_img.dic |
| 1.2.1 | 2003-02-22 | Correction of ATOM_ for ARRAY_ typos in various descriptions. (HJB) |
mmcif_img.dic |
| 1.2 | 2003-02-07 | Corrections to encodings (remove extraneous hyphens) remove extraneous underscore in '_array_structure.encoding_type' enumeration. Correct typos in items units list. (HJB) |
mmcif_img.dic |
| 1.1.3 | 2001-04-19 | Another typo corrections by Wilfred Li, and cleanup by HJB. |
mmcif_img.dic |
| 1.1.2 | 2001-03-06 | Several typo corrections by Wilfred Li. |
mmcif_img.dic |
| 1.1.1 | 2001-02-16 | Several typo corrections by JW. |
mmcif_img.dic |
| 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 allow for coupled axes, as in spiral scans. + Add examples for fairly complete headers thanks to R. Sweet and P. Ellis. |
mmcif_img.dic |
| 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. |
mmcif_img.dic |
| 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'. |
mmcif_img.dic |
| 0.7.0 | 2000-09-09 | Respond to comments by I. David Brown. (HJB) + Add further comments on '\n' and '\t'. + Update ITEM_UNITS_LIST by taking section from mmCIF dictionary and adding metres. Change 'meter' to 'metre' throughout. + Add missing enumerations to '_array_structure.compression_type' and make 'none' the default. + Remove parent-child relationship between '_array_structure_list.index' and '_array_structure_list.precedence'. + Improve alphabetization. + Fix '_array_intensities.gain_esd' related function. + Improve comments in AXIS. + Fix DIFFRN_FRAME_DATA example. + Remove erroneous DIFFRN_MEASUREMENT example. + Add '_diffrn_measurement_axis.id' to the category key. |
mmcif_img.dic |
| 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. |
mmcif_img.dic |
| 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. |
mmcif_img.dic |
| 0.5 | 1999-01-01 | Modifications for axis definitions and reduction of binary header. (HJB) + Restore '_diffrn_detector.diffrn_id' to DIFFRN_DETECTOR KEY. + Add AXIS category. + Bring in complete DIFFRN_DETECTOR and DIFFRN_MEASUREMENT categories from cif_mm.dic for clarity. + Change '_array_structure.encoding_type' from type code to uline and added X-Binary-Element-Type to MIME header. + Add detector beam centre '_diffrn_detector_element.center[1]' and '_diffrn_detector_element.center[2]'. + Correct 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'. + Add DIFFRN_SCAN... categories. |
mmcif_img.dic |
| 0.4 | 1998-08-11 | Modifications to the 0.3 imgCIF draft. (HJB) + Reflow comment lines over 80 characters and corrected typos. + Update examples and descriptions of MIME encoded data. + Change name to cbfext98.dic. |
mmcif_img.dic |
| 0.3 | 1998-07-04 | Modifications for imgCIF. (HJB) + Add binary type, which is a text field containing a variant on MIME encoded data. + Change type of '_array_data.data' to binary and specify internal structure of raw binary data. + Add '_array_data.binary_id', and make '_diffrn_frame_data.binary_id' and '_array_intensities.binary_id' into pointers to this item. |
mmcif_img.dic |
| 0.2 | 1997-12-02 | Modifications to the CBF draft. (JW) + Add category hierarchy for describing frame data developed from discussions at the BNL imgCIF Workshop Oct 1997. The following changes are made in implementing the workshop draft. Category DIFFRN_array_data is renamed to DIFFRN_FRAME_DATA. Category DIFFRN_FRAME_TYPE is renamed to DIFFRN_DETECTOR_ELEMENT. The parent item for '_diffrn_frame_data.array_id' is changed from '_array_structure_list.array_id' to '_array_structure.id'. Item '_diffrn_detector.array_id' is deleted. + Add 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. |
mmcif_img.dic |
| 0.1 | 1997-01-24 | First draft of this dictionary in DDL 2.1 compliant format by John Westbrook (JW). This version is 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 are handled as an ordinary data item encapsulated in a character data type. Although 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. |
mmcif_img.dic |
| 1.8.4 | 2021-03-16 | Copy-editing refinements (bm) + Add _item_related.related_name and "_item_related.function_code replacedby" to deprecated items. + Add "_item_default.value ." to *_variant items + Change uses of \%Angstroms to \%angstr\"oms + Change category save frames to upper case names + Fix misssing superscript terminating ^ |
mmcif_img.dic |
| 1.8.3 | 2021-02-28 | Correction as per Brian McMahon + Fix _item.name for _array_structure_list.array_section_id + Remove spurious _item_aliases.alias_name from _diffrn_radiation.polarisn_ratio_esd + Remove spurious reference to _diffrn_scan_frame.time_rstrt_incr + Provide missing _diffrn_scan_frame_monitor.monitor_value definition + Deprecate _diffrn_scan_frame_monitor.value |
mmcif_img.dic |
| 1.8.2 | 2021-02-21 | Corrections and additions for ITVG 2021 + Add McStas as an axis coordinate system + Add _array_intensities.underload as optional + Add _diffrn_scan_collection.details as optional + Add _diffrn_scan_collection.variant as optional |
mmcif_img.dic |
| 1.8.1 | 2021-01-30 | Copy-paste error corrections (JRH) + Fix double underscore in _diffrn_data_frame.center_derived + Fix wrong _item.name in _diffrn_scan.date_end_estimated + Fix wrong _item.mandatory_code in _diffrn_scan_frame_monitor.frame_id + Fix wrong _item.mandatory_code in _variant.variant_of |
mmcif_img.dic |
| 1.8.0 | 2021-01-24 | Changes for 2021 ITVG and conformance with Gold Standard and NXmx (HJB) + Add _diffrn_data_frame.center_derived as optional + Add _diffrn_measurement.sample_detector_distance_derived as optional + Change _diffrn_scan.date_start to mandatory + Add _diffrn_scan.date_end_estimated as mandatory + Fix .array_id and .binary_id columns to be implicit in all cases to facilitate mini_cbfs |
mmcif_img.dic |
| 1.7.11 | 2018-12-03 | Changes for CBFlib 0.9.6 release (HJB) + Remove _array_structure_list.array_section_id + Revisions to _category.NX_mapping_details in most categories for array sections. + Change to uniform use of entry:NXentry + Change to uniform use of identification of NXdetector by detector element + Change to uniform use of data_ARRAYID_BINARYID + Add _array_structure_list.array_section_id + Add _map_segment.mask_array_section_id + Add _diffrn_scan_collection.scan_id + Add _diffrn_scan_collection.type + Add _diffrn_scan_collection.translation_width + Add _diffrn_radiation.beam_width + Add _diffrn_radiation.beam_height + Add _diffrn_radiation.beam_flux |
mmcif_img.dic |
| 1.7.10 | 2014-04-25 | Additions of esd's to polarization tags. Change to NeXus mapping to use NXtransformations instead of NXpoise (HJB) + Add _diffrn_radiation.polarisn_norm_esd, _diffrn_radiation.polarisn_ratio_esd, _diffrn_radiation.polarizn_source_norm_esd, _diffrn_radiation.polarizn_source_ratio_esd, _diffrn_radiation.polarizn_Stokes_I_esd, _diffrn_radiation.polarizn_Stokes_Q_esd, _diffrn_radiation.polarizn_Stokes_U_esd, _diffrn_radiation.polarizn_Stokes_V_esd, _diffrn_scan_frame.polarizn_Stokes_I_esd, _diffrn_scan_frame.polarizn_Stokes_Q_esd, _diffrn_scan_frame.polarizn_Stokes_U_esd, _diffrn_scan_frame.polarizn_Stokes_V_esd. + Change NeXus mapping for ARRAY_STRUCTURE_LIST ARRAY_STRUCTURE_LIST_AXIS, AXIS, DIFFRN_DETECTOR_AXIS, DIFFRN_MEASUREMENT_AXIS, DIFFRN_SCAN_FRAME_AXIS. |
mmcif_img.dic |
| 1.7.9 | 2014-04-05 | Corrections to Stokes parameter description. (HJB) + Clarify the meaning of _diffrn_radiation.polarizn_Stokes_I and _diffrn_scan_frame.polarizn_Stokes_I to explicitly include non-polarized component. + Provide missing factor of 2 in _diffrn_radiation.polarizn_Stokes_V description and _diffrn_scan_frame.polarizn_Stokes_V description. |
mmcif_img.dic |
| 1.7.8 | 2014-02-22 | Minor changes to NeXus mapping. (HJB) + Conform NeXus mapping of DIFFRN_DETECTOR to neXus NXdetector base class terminology + Add _diffrn_detector.gain_setting to handle the reverse mapping from NeXus of the equivalent field in NXdetector. |
mmcif_img.dic |
| 1.7.7 | 2014-02-22 | Major changes to NeXus mapping to conform to JS functional mapping prototype, add Stoke parameter tags for polarization and beam intensity, and add an new tag for FEL axes (HJB) + Add _axis.equipment_component, _diffrn_radiation.polarizn_Stokes_I, _diffrn_radiation.polarizn_Stokes_Q, _diffrn_radiation.polarizn_Stokes_U, _diffrn_radiation.polarizn_Stokes_V, _diffrn_scan_frame.polarizn_Stokes_I, _diffrn_scan_frame.polarizn_Stokes_Q, _diffrn_scan_frame.polarizn_Stokes_U, _diffrn_scan_frame.polarizn_Stokes_V. + Remove erroneous type code from _diffrn_scan_frame_monitor.value. + Update dictionary version |
mmcif_img.dic |
| 1.7.6 | 2013-10-29 | To avoid a conflict with PDB software, remove the null value enumeration for _variant.role (HJB) |
mmcif_img.dic |
| 1.7.5 | 2013-10-27 | At request of JW for the PDB move _category.NX_mapping_details to be adjacent to other category tags. (HJB) |
mmcif_img.dic |
| 1.7.4 | 2013-10-23 | Minor cleanup and remove spurious tag + remove spurious _array_structure_list_section.array_set_id references. (JS) + Change case of category names to conform to PDB conventions. (JW) |
mmcif_img.dic |
| 1.7.3 | 2013-10-15 | Major cleanup of dictionary typos, misplaced loops, etc by John Westbrook + Change _item.mandatory_code of all *.variant to implicit + Add _diffrn_refln.id and _diffrn_refln.diffrn_id + Correct many _item.name values that were wrong or missing quote marks |
mmcif_img.dic |
| 1.7.2 | 2013-10-07 | Add FEL detector positioning tags and change back to NXgoniometer + Add _axis.rotation_axis and _axis.rotation and + Change NXsample back to NXgoniometer |
mmcif_img.dic |
| 1.7.1 | 2013-08-10 | Minor cleanup (HJB) + Correction to description of _diffrn_data_frame.array_section_id + Change NXgoniometer to NXsample + Fix typos in NeXus mappings |
mmcif_img.dic |
| 1.7 | 2013-06-18 | Additions to start merge of CBF, HDF5 and NeXus (HJB) + Define new ARRAY_STRUCTURE_LIST_SECTION category + Add new _category.NX_mapping_details DDL tag to carry details on NeXus category mappings. + Define new tags _array_structure_list_section.array_id, _array_structure_list_section.id, _array_structure_list_section.index, _array_structure_list_section.end, _array_structure_list_section.start, _array_structure_list_section.stride, _array_structure_list_section.variant, _diffrn_data_frame.array_section_id, _diffrn_detector.layer_thickness, _map_segment.array_section_id, _map_segment.mask_array_section_id |
mmcif_img.dic |
| 1.6.4 | 2011-07-02 | Corrections to support DLS Dectris header as per G. Winter (HJB) + Define new tags _diffrn_scan.time_period, _diffrn_scan.time_rstrt_incr, _diffrn_scan_frame.time_period, _diffrn_scan_frame.time_rstrt_incr + fix bad category name in loop in _diffrn_detector.id + remove stray text field terminator at line 4642 + fix unquoted tag as a value in _diffrn_scan_frame_monitor.id + make formerly mandatory and implicit deprecated items non-mandatory |
mmcif_img.dic |
| 1.6.3 | 2010-08-26 | Cumulative corrections from 1.6.0, 1, 2 drafts (HJB) + Move descriptive dictionary comments into _datablock.description with category tree described + add default _array_data.array_id value of 1 + add option of CBF_BACKGROUND_OFFSET_DELTA compression + add VARIANT category and tags + add DIFFRN_SCAN_FRAME_MONITOR category |
mmcif_img.dic |
| 1.5.4 | 2007-07-28 | Typographics corrections (HJB) + Corrected embedded degree characters to \% + Corrected embedded Aring to \%A + Added trailing ^ for a power + Removed 2 cases of a space after an underscore in tag name. |
mmcif_img.dic |
| 1.5.3 | 2007-07-08 | Changes to support SLS miniCBF and suggestions from the 24 May 07 BNL imgCIF workshop (HJB) + Added new data items '_array_data.header_contents', '_array_data.header_convention', '_diffrn_data_frame.center_fast', '_diffrn_data_frame.center_slow', '_diffrn_data_frame.center_units', '_diffrn_measurement.sample_detector_distance', '_diffrn_measurement.sample_detector_voffset + Deprecated data items '_diffrn_detector_element.center[1]', '_diffrn_detector_element.center[2]' + Added comments and example on miniCBF + Changed all array_id data items to implicit |
mmcif_img.dic |
| 1.5.2 | 2007-05-06 | Further clarifications of the coordinate system. (HJB) | mmcif_img.dic |
| 1.5.1 | 2007-04-26 | Improve definition of X-axis to cover the case of no goniometer and clean up more line folds (HJB) |
mmcif_img.dic |
| 1.5 | 2007-07-25 | This is a cumulative list of the changes proposed since the imgCIF workshop in Hawaii in July 2006. It is the result of contributions by H. J. Bernstein, A. Hammersley, J. Wright and W. Kabsch. 2007-02-19 Consolidated changes (edited by HJB) + Added new data items '_array_structure.compression_type_flag', '_array_structure_list_axis.fract_displacement', '_array_structure_list_axis.displacement_increment', '_array_structure_list_axis.reference_angle', '_array_structure_list_axis.reference_displacement', '_axis.system', '_diffrn_detector_element.reference_center_fast', '_diffrn_detector_element.reference_center_slow', '_diffrn_scan_axis.reference_angle', '_diffrn_scan_axis.reference_displacement', '_map.details', '_map.diffrn_id', '_map.entry_id', '_map.id', '_map_segment.array_id', '_map_segment.binary_id', '_map_segment.mask_array_id', '_map_segment.mask_binary_id', '_map_segment.id', '_map_segment.map_id', '_map_segment.details. + Change type of '_array_structure.byte_order' and '_array_structure.compression_type' to ucode to make these values case-insensitive + Add values 'packed_v2' and 'byte_offset' to enumeration of values for '_array_structure.compression_type' + Add to definitions for the binary data type to handle new compression types, maps, and a variety of new axis types. 2007-07-25 Cleanup of typos for formal release (HJB) + Corrected text fields for reference_ tag descriptions that were off by one column + Fix typos in comments listing fract_ tags + Changed name of release from 1.5_DRAFT to 1.5 + Fix unclosed text fields in various map definitions |
mmcif_img.dic |
| 1.4 | 2006-07-04 | This is a change to reintegrate all changes made in the course of publication of ITVG, by the RCSB from April 2005 through August 2008 and changes for the 2006 imgCIF workshop in Hawaii. 2006-07-04 Consolidated changes for the 2006 imgCIF workshop (edited by HJB) + Correct type of '_array_structure_list.direction' from 'int' to 'code'. + Added new data items suggested by CN '_diffrn_data_frame.details' '_array_intensities.pixel_fast_bin_size', '_array_intensities.pixel_slow_bin_size and '_array_intensities.pixel_binning_method + Added deprecated item for completeness '_diffrn_frame_data.details' + Added entry for missing item in contents list '_array_structure_list_axis.displacement' + Added new MIME type X-BASE32K based on work by VL, KM, GD, HJB + Correct description of MIME boundary delimiter to start in column 1. + General cleanup of text fields to conform to changes for ITVG by removing empty lines at start and finish of text field. + Amend example for ARRAY_INTENSITIES to include binning. + Add local copy of type specification (as 'code') for all children of '_diffrn.id'. + For consistency, change all references to 'pi' to '\p' and all references to 'Angstroms' to '\%Angstroms'. + Clean up all powers to use IUCr convention of '^power^', as in '10^3^' for '10**3'. + Update 'yyyy-mm-dd' type regex to allow truncation from the right and improve comments to explain handling of related mmCIF 'yyyy-mm-dd:hh:mm' type, and use of 'Z' for GMT time zone. 2005-03-08 and 2004-08-08 fixed cases where _item_units.code used instead of _item_type.code (JDW) 2004-04-15 fixed item ordering in _diffrn_measurement_axis.measurement_id added sub_category 'vector' (JDW) |
mmcif_img.dic |
| 1.3.2 | 2005-06-25 | 2005-06-25 ITEM_TYPE_LIST: code, ucode, line, uline regexps updated to those of current mmCIF; float modified by allowing integers terminated by a point as valid. The 'time' part of yyyy-mm-dd types made optional in the regexp. (BM) 2005-06-17 Minor corrections as for proofs for IT G Chapter 4.6 (NJA) 2005-02-21 Minor corrections to spelling and punctuation (NJA) 2005-01-08 Changes as per Nicola Ashcroft. + Updated example 1 for DIFFRN_MEASUREMENT to agree with mmCIF. + Spelled out "micrometres" for "um" and "millimetres" for "mm". + Removed phrase "which may be stored" from ARRAY_STRUCTURE description. + Removed unused 'byte-offsets' compressions and updated cites to ITVG for '_array_structure.compression_type'. (HJB) |
mmcif_img.dic |
| 1.3.1 | 2003-08-13 | Changes as per Frances C. Bernstein. + Identify initials. + Adopt British spelling for centre in text. + Set \p and \%Angstrom and powers. + Clean up commas and unclear wordings. + Clean up tenses in history. Changes as per Gotzon Madariaga. + Fix the ARRAY_DATA example to align '_array_data.binary_id' and X-Binary-ID. + Add a range to '_array_intensities.gain_esd'. + In the example of DIFFRN_DETECTOR_ELEMENT, '_diffrn_detector_element.id' and '_diffrn_detector_element.detector_id' interchanged. + Fix typos for direction, detector and axes. + Clarify description of polarisation. + Clarify axes in '_diffrn_detector_element.center[1]' '_diffrn_detector_element.center[2]'. + Add local item types for items that are pointers. (HJB) |
mmcif_img.dic |
| 1.3.0 | 2003-07-24 | Changes as per Brian McMahon. + Consistently quote tags embedded in text. + Clean up introductory comments. + Adjust line lengths to fit in 80 character window. + Fix several descriptions in AXIS category which referred to '_axis.type' instead of the current item. + Fix erroneous use of deprecated item '_diffrn_detector_axis.id' in examples for DIFFRN_SCAN_AXIS. + Add deprecated items '_diffrn_detector_axis.id' and '_diffrn_measurement_axis.id'. (HJB) |
mmcif_img.dic |
| 1.2.4 | 2003-07-14 | Changes as per I. David Brown. + Enhance descriptions in DIFFRN_SCAN_AXIS to make them less dependent on the descriptions in DIFFRN_SCAN_FRAME_AXIS. + Provide a copy of the deprecated DIFFRN_FRAME_DATA category for completeness. (HJB) |
mmcif_img.dic |
| 1.2.3 | 2003-07-03 | Cleanup to conform to ITVG. + Correct sign error in ..._cubed units. + Correct '_diffrn_radiation.polarisn_norm' range. (HJB) |
mmcif_img.dic |
| 1.2.2 | 2003-03-10 | Correction of typos in various DIFFRN_SCAN_AXIS descriptions. (HJB) |
mmcif_img.dic |
| 1.2.1 | 2003-02-22 | Correction of ATOM_ for ARRAY_ typos in various descriptions. (HJB) |
mmcif_img.dic |
| 1.2 | 2003-02-07 | Corrections to encodings (remove extraneous hyphens) remove extraneous underscore in '_array_structure.encoding_type' enumeration. Correct typos in items units list. (HJB) |
mmcif_img.dic |
| 1.1.3 | 2001-04-19 | Another typo corrections by Wilfred Li, and cleanup by HJB. |
mmcif_img.dic |
| 1.1.2 | 2001-03-06 | Several typo corrections by Wilfred Li. |
mmcif_img.dic |
| 1.1.1 | 2001-02-16 | Several typo corrections by JW. |
mmcif_img.dic |
| 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 allow for coupled axes, as in spiral scans. + Add examples for fairly complete headers thanks to R. Sweet and P. Ellis. |
mmcif_img.dic |
| 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. |
mmcif_img.dic |
| 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'. |
mmcif_img.dic |
| 0.7.0 | 2000-09-09 | Respond to comments by I. David Brown. (HJB) + Add further comments on '\n' and '\t'. + Update ITEM_UNITS_LIST by taking section from mmCIF dictionary and adding metres. Change 'meter' to 'metre' throughout. + Add missing enumerations to '_array_structure.compression_type' and make 'none' the default. + Remove parent-child relationship between '_array_structure_list.index' and '_array_structure_list.precedence'. + Improve alphabetization. + Fix '_array_intensities.gain_esd' related function. + Improve comments in AXIS. + Fix DIFFRN_FRAME_DATA example. + Remove erroneous DIFFRN_MEASUREMENT example. + Add '_diffrn_measurement_axis.id' to the category key. |
mmcif_img.dic |
| 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. |
mmcif_img.dic |
| 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. |
mmcif_img.dic |
| 0.5 | 1999-01-01 | Modifications for axis definitions and reduction of binary header. (HJB) + Restore '_diffrn_detector.diffrn_id' to DIFFRN_DETECTOR KEY. + Add AXIS category. + Bring in complete DIFFRN_DETECTOR and DIFFRN_MEASUREMENT categories from cif_mm.dic for clarity. + Change '_array_structure.encoding_type' from type code to uline and added X-Binary-Element-Type to MIME header. + Add detector beam centre '_diffrn_detector_element.center[1]' and '_diffrn_detector_element.center[2]'. + Correct 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'. + Add DIFFRN_SCAN... categories. |
mmcif_img.dic |
| 0.4 | 1998-08-11 | Modifications to the 0.3 imgCIF draft. (HJB) + Reflow comment lines over 80 characters and corrected typos. + Update examples and descriptions of MIME encoded data. + Change name to cbfext98.dic. |
mmcif_img.dic |
| 0.3 | 1998-07-04 | Modifications for imgCIF. (HJB) + Add binary type, which is a text field containing a variant on MIME encoded data. + Change type of '_array_data.data' to binary and specify internal structure of raw binary data. + Add '_array_data.binary_id', and make '_diffrn_frame_data.binary_id' and '_array_intensities.binary_id' into pointers to this item. |
mmcif_img.dic |
| 0.2 | 1997-12-02 | Modifications to the CBF draft. (JW) + Add category hierarchy for describing frame data developed from discussions at the BNL imgCIF Workshop Oct 1997. The following changes are made in implementing the workshop draft. Category DIFFRN_array_data is renamed to DIFFRN_FRAME_DATA. Category DIFFRN_FRAME_TYPE is renamed to DIFFRN_DETECTOR_ELEMENT. The parent item for '_diffrn_frame_data.array_id' is changed from '_array_structure_list.array_id' to '_array_structure.id'. Item '_diffrn_detector.array_id' is deleted. + Add 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. |
mmcif_img.dic |
| 0.1 | 1997-01-24 | First draft of this dictionary in DDL 2.1 compliant format by John Westbrook (JW). This version is 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 are handled as an ordinary data item encapsulated in a character data type. Although 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. |
mmcif_img.dic |