Attribute
|
Type
|
Multiplicity
|
Description
|
distribution
|
Float
|
0..*
|
histogram of frequency distribution. Normalised - must sum to 1.0. The shifts to which the individual points belong are defined so that point i collects the shifts from
refValue + valuePerPoint*( i-refPoint) to refValue + valuePerPoint*( i+1-refPoint).
|
meanValue
|
Float
|
0..1
|
Average predicted chemical shift value (in ppm)
|
name
|
Word
|
1..1
|
Name of ChemAtom. Part of key for object.
|
numPoints
|
Int
|
1..1
|
Derived. Number of points in shift distribution
|
randomCoilValue
|
Float
|
0..1
|
Chemical shift for random coil conformation. Need not be the same as the mean value over the known distribution.
|
refPoint
|
Float
|
1..1
|
Reference point number (in floating point, first point is 0.0) for referencing chemical shift axis of distribution.
|
refValue
|
Float
|
1..1
|
Reference value (in ppm) for setting chemical shift axis of distribution.
|
serial
|
Int
|
1..1
|
Serial number of object. Serves as object main key. Serial numbers of deleted objects are not re-used. Serial numbers can only be set by the implementation. Values are in practice always positive, since negative values are interpreted as a signal to set the next free serial
|
stdDev
|
Float
|
0..1
|
Standard deviation (in ppm) over the chemical shift distribution
|
subType
|
Int
|
1..1
|
subType of ChemAtom referred to.
|
valuePerPoint
|
Float
|
0..1
|
The value per point on the histogram axis, equivalent to the width of a column.
|