- DO xrefin-do-statement
- is invoked as an xrefin
statement. Action takes place as soon as the construct is
( xrefin-property = xrefin-do-expression )
- carries out an operation using amplitudes of
- carries out an operation in complex space.
- carries out an operation using phases of
xrefin properties. Phases are
manipulated in degrees.
involves an operation that multiplies the left-hand side
a scale factor , which is defined as
where rhs represents the right-hand side of the equation.
The action of this statement is identical to the
scaling carried out when computing the value or the residual
(cf. Eqs. 13.1, 13.6), except that it refers
the scaling to the right-hand side of the equation, whereas
in the residual or value evaluation the scaling
Therefore, if the right-hand side of the scaling operation consists
of , the program refers only to but not to
represents a mathematical operation and
is defined in Section 2.16.
symbol real integer
represents mathematical functions
and is defined in Section 2.16. Special
xrefin functions are defined below. The data
type of the function arguments has to match
the data type of the operands.
- specifies calculated structure factors (complex).
- specifies observed structure factors (complex).
- specifies partial structure factors (complex).
- specifies values (real).
- is an array for cross-validation that
allows one to compute the free value (see Chapter
- specifies weights (real).
- defines an array that consists of the Miller index h.
- defines an array that consists of the Miller index k.
- defines an array that consists of the Miller index l.
- defines an array that consists of the length of
the reciprocal lattice vector for each reflection h,k,l.