Pattern Contributions



This is the part for pattern contribution of the current phase.



Current phase contributes to the pattern [JCONTR]

Checkbox to active if the current phase contributes in this pattern.



Controls

       


Go to first pattern


Go previous pattern


Go to next pattern


Go to last pattern


Type of Pattern [Jbt]

Select the job type for current phase.


Peak shape [Npr]

Specific profile function for the current phase


Reflection list [Irf]

Control for reflections generation or use of a reflections file



Equivalence on PCR file




The user can activate control parameters for peak overlap or rejected reflections for current phase. Then the next fields are activated.


Brindley coefficient [Brind]

Brindley coefficient


Global weight of the integrated intensity respect global profile [Rmua]

Used when a list of integrated intensities is given as observations for the current phase (see Irf parameter).


If Rmua is equal to zero then FullProf program puts it to 1.0. The value of this variable corresponds to the global weight of the integrated intensity

observations with respect to the global profile. The contribution to the normal equations of the integrated intensity part is multiplied by Rmua.


Factor for excluding reflections [Rmub]

Used when a list of integrated intensities is given as observations for the current phase (see Irf parameter).


Rmub is a factor for excluding reflections: only the reflections verifying the constraint


       


are considered in the refinement. Gobs is the integrated intensity, structure factor or structure factor squared of the current reflection.



Weights are divide by reduced χ2 of precedent cycle [Rmuc]

Used when a list of integrated intensities is given as observations for the current phase (see Irf parameter).


If Rmuc is greater than 0.9 the weights are divided by the reduced χ2 of the precedent cycle.



Equivalence on PCR file





When the current job is a Profile matching with constant scale factor and using a list of overlapped peak cluster then a control for two consecutive

reflections belongs to a same cluster  will be used.




The reflections i and i+1 belong to the same cluster if

Condition I:

       


Condition II:


       


where Gi is the integrated intensity, Ti is the Bragg position, Hi is the FWHM of reflection i, Gsum is the cumulated integrated intensity of the current cluster. If Rmub and Rmuc are given as zeroes, FullProf program put Rmub equal to 1.0 and Rmuc as 0.2






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