Getting Started

 

Equiv needs of a data collection file consisting of a list of reflections (free format) of the type

h k l F s [other optional fields]

where F and S are the structure factor (or squared structure factor, or intensity) and the standard deviation. Formatted list can be turned into free format by using the tras program.

Any optional field, in the data collection file, is ignored by the program.

 

There are 3 ways of starting equiv: (1) an interactive mode;  (2) a batch mode and (3) a graphical mode.

Mode (1) and (2) are intended for the Linux/Unix version only.

1) The interactive mode is started simply by typing equiv at the Unix prompt; this will create a c-shell process and a new prompt  [equ(1)%]  will be displayed; a list of commands is available by typing the l command.

The data collection file (name.hkl) must be copied in the file DATA.INP (use the c command), then the command s will run the smart program, which is an aid in the preparation of the info.inp file, containing the set of instructions used by equiv to process the data. 

The info.inp file can be changed by the user, editing it with the command i

The r command will run the equstat program (the main program) which performs the analysis of the data collection, according to the instructions contained in info.inp.

The o command will display the results.

See here the list of commands available under the interactive mode.


2) The batch mode is started by typing equiv followed by several options (the same used in the interactive mode) in the form "equiv -opt1 -opt2...". By typing 

equiv -c mydata.hkl -r -