SuperPlot - Overplotting |
Scaling and Zooming |
Cut applied to ... |
Plot Style and Printing |
Tips
Radial integrations
Unroll images
Curve fit -
Str-Fit(complete and generous) |
GK-Fit(limited but easy to use |
Qens-Fit(for quasi-elastic spectra)
Tomography
Magnetic structure -
Editor |
incommensurate example |
commensurate example
Atomistic representation -
Miller planes/isodensities |
Molecules/displacements
Scroll Spectra -
Scrolling | Scaling and Zooming |
Plot Style and Printing | Tips
The DISPLAY FUNCTIONS list on the right of the classical LAMP interface and the TOOLS list in the Menu-bar contain buttons to select the following interfaces :-
This interface provides a window for plotting several individual spectra. The current workspace number used in Lamp is automatically used as the default workspace. You can change it with the workspace slider. The cut axis and the cutting value can also be easily choosen using X or Y button and cutting value slider.
The SuperPlot window diplaying five spectra
from 1 workspace
Also in the DISPLAY FUNCTIONS area on the right of the main LAMP interface are buttons to select a Radial Integration programs, a curve function fitting program (GK_Fit), SCAN for more elaborate image manipulation, and Load new Colours.
This interface provides a window for radial and azimutal integrations using user defined
sectors.
This interface provides a window for unrolling large images.The analyse becomes easier since
integrations are simple projections.
Originally developed for analysing strain scanning aquisitions in which a Bragg peak is measured
as a function of the position in the sample. The diffraction peak in each pattern is fitted with a given
theorical lineshape (e.g. pseudo-Voigt), including convolution with a resolution function.
The fitted data, residuals and parameters can be viewed in different ways.
Today the program aims to give users a general fitting interface in which we can:
From one to six Gaussian & Lorenzian functions can be fitted from this interface.
Used to analyse quasi-elastic spectra. Inelastic excitations can also be treated.
The input for "Qens_fit" consists of two workspaces, one containing the data as a function
of Q(or temperature,pressure etc), the other containing the corresponding set of resolution
functions, and a fitting model(typically a delta function for the elastic peak and lorentzians
and gaussians for the quasi/inelastic features).
Once one spectrum has been fitted the remaining spectra can be fitted in one go and parameters
can be fixed for all spectra. Instead of fitting independently each spectrum, a physical model
can be imposed, for example for diffusion on a sphere. Models are added when needed.
A straightforward interface for reconstruction.
An editor for magnetic strutures representations with the possibility to add planes
and do animations. MAGDRAW reads the nuclear and magnetic structures following Rietvelt
refinement in standard programs like "FULLPROF". The structure is displayed as a 3D object
that can be easily rotated.
DyMn6Ge6 incommensurate magnetic structure in MAGDRAW. The magnetic structure
is characterized by two propagation vectors K1=(0,0,0) and K2=(0,0,.16). the first one provides
a ferro-magetic component to the helical part described in K2.
Cu4O3 commensurate magnetic structure in MAGDRAW
Miller planes can be shown in the crystallographic cell to help visualise local structure.
Standard representations of atoms and structural units(balls,sticks,polyhedra etc) are
available. High quality images and animations can be saved for publications or presentations.
3D isosurface and 2D contour plot representations of electron density, calculated by VASP for LiFePO4. The animation capabilities in LAMP can be used to visualise molecular dynamics simulations and
calculated phonons and molecular vibrations.
This provides a window for scrolling through the individual spectra within
a workspace. At start-up only triangles are displayed until an input workspace
is selected using Load W#.
The Scroll Spectra window diplaying just two spectra
from a workspace
MILLER PLANES, ISOSURFACE OF ELECTRON OR SPIN DENSITY
Atomistic representations are also being explored for visualising the results of solid state,
first principles calculations on materials. Computational codes like VASP based on density functional theory (DFT),
allow electron and spin density to be calculated and these can be displayed with the crystal structure.
MOLECULES/DISPLACEMENTS
Scroll Spectra
Select the number of spectra to view in one window with the Number of
plots bar. To scroll through the spectra use the scroll bar,
scroll one at a time by selecting the scroll bar (click on it) then use the
keyboard up and down keys. The Animate button allows you to
scroll continuously (select either Slow, Normal, Fast or Stop
to halt the animation).
By default LAMP will autoscale to suit the spectra in the window. If
an individual spectrum is zoomed (by dragging with the left mouse-button) all
the spectra in the window will zoom. The zoom rectangle can be moved
(using the middle mouse-button) to view any area of the spectra with the same
scale. N.B. To zoom in the Y direction No Autoscale must
be selected. To unzoom use the right mouse-button or the Full range
button.