Chapter 3. Command reference

Table of Contents

General syntax
Data from experiment
Storing and loading data
Active and inactive points
Background and calibration
Standard deviation or weight
Working with many datasets
Sum of fitting functions
Sum - Introduction
Adding and removing functions
Changing and freezing
Computing value
Fitting
Nonlinear optimization
Fitting related commands
Levenberg-Marquardt
Nelder-Mead downhill simplex method
Genetic Algorithms
Manipulations and various computations
Finding peaks
Other commands
Module for crystallography
Example

General syntax

All commands begin with a token x.xxxxx (letter-dot-letter). Character before dot denotes what the command is related to, and the word after dot describes what it does. Every command can be abbreviated with x.x (letter-dot-letter). The letter before dot can be one of:

d

data related commands

s

sum related commands

m

manipulations, various algorithms and computations related commands

f

fitting related commands

o

other commands - including scripts, logging to file, plotting etc.

c

commands from crystallography/diffraction module

For instance, f.run is used to start fitting and f.info to display some informations related to fitting.

Commands are finished with new line (or by pressing enter interactively), semicolon (;) or comma (,). Basically, one command is in one line. If, for some reasons, it is more comfortable to place more than one command in one line, they can be separated with semicolon (;). Sequence of commands with the same beginning token can be replaced with one command, which has one common beginning token and tokens of each command separated by commas (,). Eg.

d.background 10 150.2

d.b 60.5 185.1 # d.b is a shortcut for d.background

is equivalent to

d.background 10 150.2 ; d.background 60.5 185.1

and is equivalent to

d.background 10 150.2 , 60.5 185.1

Symbol '#' starts a comment - everything from hash (#) to the end of the line is ignored.

There is one command, that has the same syntax in all families of commands. It is x.set command, where x is one of letters described above. It is used to set or read values of various options. Command

x.set [option]

shows the list of all options and their values if option is not given, or only value of option. Command:

x.set option = value

is used to set a new value of option. In CLI version, TAB can be used to expand names of options and possible values. In GUI version, Settings dialogs can be used.