3D XRD plotting

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Tue, 07/05/2011 - 08:11 am

I'm currently using Igor to process my XRD data. Generally I can plot a conventional 2D wave - wave1 (2theta) vs wave2 (intensity). I need to add another axis - temperature, so that to observe the structure change as a function of temperature. Could you please tell me how to do this? I've struggled in this problem for a while.

it depends a bit how your data is organized. XRD patterns are usually equally spaced in two theta. Assuming that your intensity data are stored in the waves I1, I2, I3, I4 you can scale them using

SetScale/P x, startTwoTheta, deltaTwoTheta, "Two Theta", I1, I2, I3, I4


Substitute startTwoTheta and deltaTwoTheta with appropriate values.
Then make a matrix out of it:

Concatenate {I1, I2, I3, I4}, w


and scale the y value of w according to temperature, which needs to be equally spaced as well (when using an automated heating stage there is a fair chance that it is):

SetScale/P y, Tmin, deltaT, "Temperature", w


then you can use Gizmo to plot w in 3D

July 5, 2011 at 08:41 am - Permalink

There are several ways to display time dependent behaviour:
1) Waterfall plot
2) 2D Image 2theta = x, time=y, intensity=z
3) Gizmo plot

July 5, 2011 at 10:05 am - Permalink