1.20 show

show <subcommand>,..

This command allows to obtain various information about the model crystal, PDFFIT settings etc.

Valid subcommands are :

1.20.1 atom

show "atom",<number> [,<end>]

show "atom","all"

show "atom","last"

Information about the atom(s) such as position, thermal factors, atom type and occupancy are listed for the current phase (-> phase). If the optional second parameter <end> is given, all atoms in the range <number> to <end> are shown. If the second parameter is "all", all atoms in the crystal are shown. WARNING, this could last a while :-) If the second parameter is "last", only the last atom of the crystal is shown. This is identical to setting the second parameter to "n[1]", which contains the number of atoms in the crystal.

1.20.2 config

show "config"

This commands lists the limits of various arrays like the maximum number of phases, atoms, parameters etc. In case one of the limits is not sufficient, PDFFIT needs to be recompiled with adjusted limits.

1.20.3 const

show "const" [,<ip>]

This command displays all constraint equations and derivatives that contain parameter <ip>. If <ip> is omitted, all definitions are show, which can be quite a long list !

1.20.4 elem

show "elem" [,<ip>]

This command lists information about the elements within the crystal. If the parameters <ip> is omitted, the corresponding information for all phases is shown, otherwise just for the specified phase <ip>.

1.20.5 fit

show "fit"

This command outputs refinement information such as R-values and the correlation matrix.

1.20.6 metric

show "metric"

This command show the current lattice parameters, metric tensor as well as reciprocal lattice parameters and the reciprocal metric tensor for the currently active structural phase (-> phase).

1.20.7 par

show "par"

This command lists the current fit parameters on the screen.

1.20.8 pdf

show "pdf" [,<is>]

This command lists information about PDF related settings. If the parameters <is> is omitted, the corresponding information for all data sets is shown, otherwise just for the specified set <is>.

1.20.9 phase

show "phase"

This command displays all information about the currently active phase on the screen.

1.20.10 scat

show "scat",$\{$ "all" |<name>|<number>$\}$

This command allows the user to display the scattering lengths for all or just a specific atom within the currently selected phase (-> phase).