AsUniqueRedundant ( self )

Return an equivalent RedundantDataSet The returned data set contains all reflections present in the current data set

Cell ( self )

Unit cell associated to this data set

Dump ( self )

Creates a string representation of all reflections in the dataset. This is done in sections of h, with k vertical and l horizontal.

Expanded ( self )

Return the current data set expanded to all asymmetric units

InvD ( self )

Return a list of 1/d values for each reflection.

NumRefl ( self )

Return the number of reflections in the data set

RedundantSubSet ( self,  count )

Return a new subset dataset containing duplicates.

The returned redundant dataset will contain all reflections from the current data set the corresponding element of count times.

Stats ( self )

Returns a string describing the contents of this data set.

StrNumRefl ( self )

A string representation of the number of reflections This takes the reduction into account

SubSet ( self,  condition )

Return a new subset dataset.

The returned dataset contains those reflections from the current data set that are marked with a 1 value in the condition array.

Subtract ( self,  otherset )

Return a new dataset containing all reflections not in otherset

ThetaMax ( self )

Maximal theta used for the generation of this data set

ThetaMin ( self )

Minimal theta used for the generation of this data set

Uniquified ( self )

Return the current data set uniquified to the standard asymmetric unit

Wavelength ( self )

Wave length used for the experiment

With ( self,  **kw )

Modification routine. Returns a new DataSet with everything identical to the current data set, except what is specified as argument:

reflections

new set of reflections

WithSatellites ( self )

A new dataset containing main reflections and satellites for modulated structures

__getitem__ ( self,  index )

Return the 'index'th reflection index

__init__ (
        self,
        reflections,
        spacegroup=None,
        thetamax=None,
        cell=None,
        thetamin=None,
        reduction=( 1, 1, 1 ),
        )

Constructor.

arguments:

reflections

a list of hkl reflection indices.

optional arguments:

spacegroup

pointgroup class or instance

cell

the associated cell. This is slightly less optional.

thetamin

the lowest theta used for generation of the data set

thetamax

the highest theta used for generation of the data set

reduction

the unit cell parameter reduction applied to a,b,c for the generation of the data set, given as a 3-tuple of integers.

__repr__ ( self )

Simple one-line string representation