#######
# MAP #
#######
save_MAP
_category.description
; Data items in the MAP 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 '_map.id'
'_map.diffrn_id'
'_map.entry_id'
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_
_map.id
_map.details
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__map.details
_item_description.description
; The value of _map.details should give a
description of special aspects of each map.
;
_item.name '_map.details'
_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_
_map.id
_map.details
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__map.diffrn_id
_item_description.description
; This item is a pointer to _diffrn.id in the
DIFFRN category.
;
_item.name '_map.diffrn_id'
_item.category_id map
_item.mandatory_code implicit
_item_type.code code
save_
save__map.entry_id
_item_description.description
; This item is a pointer to _entry.id in the
ENTRY category.
;
_item.name '_map.entry_id'
_item.category_id map
_item.mandatory_code implicit
_item_type.code code
save_
save__map.id
_item_description.description
; The value of _map.id must uniquely identify
each map for the given diffrn.id or entry.id.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_map.id' map yes
'_map_segment.id' map_segment yes
_item_type.code code
loop_
_item_linked.child_name
_item_linked.parent_name
'_map_segment.id' '_map.id'
save_
###########################
# MAP_SEGMENT #
###########################
save_MAP_SEGMENT
_category.description
; Data items in the MAP_SEGMENT 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 '_map_segment.id'
'_map_segment.map_id'
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_
_map.id
_map.details
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__map_segment.array_id
_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 _array_structure.id in the
ARRAY_STRUCTURE category.
;
_item.name '_map_segment.array_id'
_item.category_id map_segment
_item.mandatory_code yes
_item_type.code code
save_
save__map_segment.binary_id
_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 _array_data.binary_id in the
ARRAY_DATA category.
;
_item.name '_map_segment.binary_id'
_item.category_id map_segment
_item.mandatory_code implicit
_item_type.code int
save_
save__map_segment.mask_array_id
_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 _array_structure.id in the
ARRAY_STRUCTURE category.
;
_item.name '_map_segment.mask_array_id'
_item.category_id map_segment
_item.mandatory_code no
_item_type.code code
save_
save__map_segment.mask_binary_id
_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 _array_data.mask_binary_id in the
ARRAY_DATA category.
;
_item.name '_map_segment.mask_binary_id'
_item.category_id map_segment
_item.mandatory_code implicit
_item_type.code int
save_
save__map_segment.id
_item_description.description
; The value of _map_segment.id must uniquely
identify each segment of a map.
;
loop_
_item.name
_item.category_id
_item.mandatory_code
'_map_segment.id'
map_segment
yes
_item_type.code code
loop_
_item_linked.child_name
_item_linked.parent_name
'_map_data_frame.map_segment_id'
'_map_segment.id'
save_
save__map_segment.map_id
_item_description.description
; This item is a pointer to _map.id
in the MAP category.
;
_item.name '_map_segment.map_id'
_item.category_id map_segment
_item.mandatory_code yes
_item_type.code code
save_
save__map_segment.details
_item_description.description
; The value of _map_segment.details should give a
description of special aspects of each segment of a map.
;
_item.name '_map_segment.details'
_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_