any is a program to analyse .y-files (output files from eval14 and eval15) and to create various reflection files. top


Start any with the command any. Once any is started, it checks whether the file any.init exists in the directory where any is installed. If this file exists, it will be executed. Next, the program checks whether the file any.init exists in the current directory. If this file exists, it will be executed.
Read an y-file with read.
Commands may be specified on the command line.
Note: any can handle multiple yfiles, but processes one file at a time. top


With the command help a webbrowser (iceweasel, firefox, mozilla, netscape) will be started displaying this page. (You may set an environment variable BROWSER to specify a specific browser).
Also available are: top


The analysis options of the program consist of: top

Reflection Filters

There are various ways to select/deselect reflections: top

List reflections


Prepare Refinement

A pkfile can be created with the pk command. This file can be used for a refinement of experimental parameters, cell dimensions and crystal orientation by peakref. top

Reflection output

Various types of reflection files can be written. Specify the filename with hklfilename, write the data with hklf4, hklf4merge, hklf5, hklf5merge, mtz, sadabs or twinabs and close the file with hklclose. Also available is the jana command to create a jana-type reflection file for incommensurate datasets. top



Mean and Sigma

Each reflection has an intensity (I) and a sigma (σ). The msa, kfactor, msapower and sigmafactor commands will increase σ.
σ = kfactor * √( (sigmafactororig)² + ( msa*intensity)msapower )

There are various ways to calculate mean values and corresponding sigma's of a group of n (equivalent) reflections. The following commands allow you to control these calculations. The defaults are: weightint 3 weightsig 3 formulasigext 1 formulasigint 2 resultsig 3 (shelxscheme)
various schemes
scheme name weightint weightsig formulasigext formulasigint resultsig
statscheme 2 2 - 1 1
shelxscheme 3 3 1 2 3
unitscheme 1 1 - 1 1
sortavscheme 2 2 2 4 1
martinscheme 2 2 1 1 3
These schemes are used by delsig, hkl, hklf4merge, hklf5merge, hklf6merge, icr, list intensity, listrefl, mtz merge, mtz separate, reject, rejectmanual and tooweak. top


Three merge-R's are calculated for every reflection with more than one equivalent.
Imean is calculated as described before: Imean = ∑ (v·I) / ∑(v) with v set by weightint.
Use meantype to control which values of Imean and nmean will be used.

Note: the calculations of Rsym, Rmeas and Rpim involve a division by ∑(Ii). This sum can be zero or even negative. This can lead to absurd high or negative values. To avoid these, the denominator in these expressions is actually MAX(1.0,∑(Ii)). top




The graphics options of the program consist of: top




Changes in version 1.6: Changes in version 1.5 (until 20110331) : Changes in version 1.4 (until 2006062700): Changes in version 1.3 (until 2004070900): top
EVPY Suite Overview