####### # <a name="MAP">MAP</a> # ####### save_MAP _category.description ; Data items in the <a href="#MAP">MAP</a> category record the details of a maps. Maps record values of parameters, such as density, that are functions of position within a cell or are functions of orthogonal coordinates in three space. A map may is composed of one or more map segments specified in the MAP_SEGMENT category. Maps are optionally keyed to a particular _diffrn.id or to a particular _entry.id, so that multiple maps for different data collections or entries may be collected in one data block. Examples are given in the MAP_SEGMENT category. ; _category.id map _category.mandatory_code no loop_ _category_key.name '<a href="#_map.id" >_map.id</a>' '<a href="#_map.diffrn_id" >_map.diffrn_id</a>' '<a href="#_map.entry_id" >_map.entry_id</a>' loop_ _category_group.id 'inclusive_group' 'array_data_group' loop_ _category_examples.detail _category_examples.case # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ; Example 1 - Identifying an observed density map and a calculated density map ; ; loop_ <a href="#_map.id" >_map.id</a> <a href="#_map.details" >_map.details</a> rho_calc ; density calculated from F_calc derived from the ATOM_SITE list ; rho_obs ; density combining the observed structure factors with the calculated phases ; # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - save_ save_<a name="_map.details" >_map.details</a> _item_description.description ; The value of <a href="#_map.details" >_map.details</a> should give a description of special aspects of each map. ; _item.name '<a name="_map.details" >_map.details</a>' _item.category_id map _item.mandatory_code no _item_type.code text loop_ _item_examples.case _item_examples.detail # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ; Example 1 - Identifying an observed density map and a calculated density map ; ; loop_ <a href="#_map.id" >_map.id</a> <a href="#_map.details" >_map.details</a> rho_calc ; density calculated from F_calc derived from the ATOM_SITE list ; rho_obs ; density combining the observed structure factors with the calculated phases ; # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - save_ save_<a name="_map.diffrn_id" >_map.diffrn_id</a> _item_description.description ; This item is a pointer to <a href="#_diffrn.id" >_diffrn.id</a> in the <a href="#DIFFRN">DIFFRN</a> category. ; _item.name '<a href="#_map.diffrn_id" >_map.diffrn_id</a>' _item.category_id map _item.mandatory_code implicit _item_type.code code save_ save_<a name="_map.entry_id" >_map.entry_id</a> _item_description.description ; This item is a pointer to <a href="#_entry.id" >_entry.id</a> in the <a href="#ENTRY">ENTRY</a> category. ; _item.name '<a href="#_map.entry_id" >_map.entry_id</a>' _item.category_id map _item.mandatory_code implicit _item_type.code code save_ save_<a name="_map.id" >_map.id</a> _item_description.description ; The value of <a href="#_map.id" >_map.id</a> must uniquely identify each map for the given diffrn.id or entry.id. ; loop_ _item.name _item.category_id _item.mandatory_code '<a href="#_map.id" >_map.id</a>' map yes '<a href="#_map_segment.id" >_map_segment.id</a>' map_segment yes _item_type.code code loop_ _item_linked.child_name _item_linked.parent_name '<a href="#_map_segment.id" >_map_segment.id</a>' '<a href="#_map.id" >_map.id</a>' save_ ########################### # <a name="MAP_SEGMENT">MAP_SEGMENT</a> # ########################### save_MAP_SEGMENT _category.description ; Data items in the <a href="#MAP_SEGMENT">MAP_SEGMENT</a> category record the details about each segment (section or brick) of a map. ; _category.id map_segment _category.mandatory_code no loop_ _category_key.name '<a href="#_map_segment.id" >_map_segment.id</a>' '<a href="#_map_segment.map_id" >_map_segment.map_id</a>' loop_ _category_group.id 'inclusive_group' 'array_data_group' loop_ _category_examples.detail _category_examples.case # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ; Example 1 - Identifying an observed density map and a calculated density map, each consisting of one segment, both using the same array structure and mask. ; ; loop_ <a href="#_map.id" >_map.id</a> <a href="#_map.details" >_map.details</a> rho_calc ; density calculated from F_calc derived from the ATOM_SITE list ; rho_obs ; density combining the observed structure factors with the calculated phases ; loop_ _map_segment.map_id _map_segment.id _map_segment.array_id _map_segment.binary_id _map_segment.mask_array_id _map_segment.mask_binary_id rho_calc rho_calc map_structure 1 mask_structure 1 rho_obs rho_obs map_structure 2 mask_structure 1 # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - save_ save_<a name="_map_segment.array_id" >_map_segment.array_id</a> _item_description.description ; The value of _map_segment.array_id identifies the array structure into which the map is organized. This item is a pointer to <a href="#_array_structure.id" >_array_structure.id</a> in the <a href="#ARRAY_STRUCTURE">ARRAY_STRUCTURE</a> category. ; _item.name '<a href="#_map_segement.array_id" >_map_segment.array_id</a>' _item.category_id map_segment _item.mandatory_code yes _item_type.code code save_ save_<a name="_map_segment.binary_id" >_map_segment.binary_id</a> _item_description.description ; The value of _map_segment.binary_id distinguishes the particular set of data organized according to _map_segment.array_id in which the data values of the map are stored. This item is a pointer to <a href="#_array_data.binary_id" >_array_data.binary_id</a> in the <a href="#ARRAY_DATA">ARRAY_DATA</a> category. ; _item.name '<a href="#_map_segment.binary_id" >_map_segment.binary_id</a>' _item.category_id map_segment _item.mandatory_code implicit _item_type.code int save_ save_<a name="_map_segment.mask_array_id" >_map_segment.mask_array_id</a> _item_description.description ; The value of _map_segment.mask_array_id, if given, the array structure into which the mask for the map is organized. If no value is given, then all elements of the map are valid. If a value is given, then only elements of the map for which the corresponding element of the mask is non-zero are valid. The value of _map_segment.mask_array_id differ from the value of _map_segment.array_id in order to permit the mask to be given as, say, unsigned 8-bit integers, while the map is given as a data type with more range. However, the two array structures must be aligned, using the same axes in the same order with the same displacements and increments This item is a pointer to <a href="#_array_structure.id" >_array_structure.id</a> in the <a href="#ARRAY_STRUCTURE">ARRAY_STRUCTURE</a> category. ; _item.name '<a href="#_map_segment.mask_array_id" >_map_segment.mask_array_id</a>' _item.category_id map_segment _item.mandatory_code no _item_type.code code save_ save_<a name="_map_segment.mask_binary_id" >_map_segment.mask_binary_id</a> _item_description.description ; The value of _map_segment.mask_binary_id identifies the particular set of data organized according to _map_segment.mask_array_id specifying the mask for the map. This item is a pointer to <a href="#_array_data.mask_binary_id" >_array_data.mask_binary_id</a> in the <a href="#ARRAY_DATA">ARRAY_DATA</a> category. ; _item.name '<a href="#_map_segment.mask_binary_id" >_map_segment.mask_binary_id</a>' _item.category_id map_segment _item.mandatory_code implicit _item_type.code int save_ save_<a name="_map_segment.id" >_map_segment.id</a> _item_description.description ; The value of <a href="#_map_segment.id" >_map_segment.id</a> must uniquely identify each segment of a map. ; loop_ _item.name _item.category_id _item.mandatory_code '<a href="#_map_segment.id" >_map_segment.id</a>' map_segment yes _item_type.code code loop_ _item_linked.child_name _item_linked.parent_name '<a href="#_map_data_frame.map_segment_id" >_map_data_frame.map_segment_id</a>' '<a href="#_map_segment.id" >_map_segment.id</a>' save_ save_<a name="_map_segment.map_id" >_map_segment.map_id</a> _item_description.description ; This item is a pointer to <a href="#_map.id" >_map.id</a> in the <a href="#MAP">MAP</a> category. ; _item.name '<a href="#_map_segment.map_id" >_map_segment.map_id</a>' _item.category_id map_segment _item.mandatory_code yes _item_type.code code save_ save_<a name="_map_segment.details" >_map_segment.details</a> _item_description.description ; The value of <a href="#_map_segment.details" >_map_segment.details</a> should give a description of special aspects of each segment of a map. ; _item.name '<a name="_map_segment.details" >_map_segment.details</a>' _item.category_id map_segment _item.mandatory_code no _item_type.code text loop_ _item_examples.case _item_examples.detail ; Example to be provided ; ; ; save_