Reciprocal space

Added function to nsls2/recip.py taken parts from the pyspec 

def process_to_q - This will procees the given images (certain scan) of
    the full set into receiprocal(Q) space, (Qx, Qy, Qz, I)
def process_grid  -This function will process the set of
    (Qx, Qy, Qz, I) values and grid the data
def get-grid_mesh - This function returns the X,Y, Z co-ordinates of the grid as 3d arrays
All,

There is a well defined definition for these axes. I would always refer to them by the paper which the code is derived. These angles are defined in the paper by:

J. Appl. Cryst. (1993). 26, 706-716    [ doi:10.1107/S0021889893004868 ] Angle calculations for a six-circle surface X-ray diffractometer M. Lohmeier and E. Vlieg
J. Appl. Cryst. (1987). 20, 330-337  Angle Calculations for a Five-Circle Diffraetometer Used for Surface X-ray Diffraction by E. Vlieg et al.

I would strongly suggest being internally consistent with these papers, then change either names or coordinate systems after the io modules.

S


On Aug 2, 2014, at 6:01 PM, Sameera Abeykoon <notifications@github.com<mailto:notifications@github.com>> wrote:


In nsls2/recip.py:

>
>      return qi
> +
> +
> +def process_to_q(settingAngles, detSizeX, detSizeY, detPixSizeX,
> +                 detPixSizeY, detX0, detY0, detDis, waveLen, UBmat, istack):
> +    """
> +    This will procees the given images (certain scan) of
> +    the full set into receiprocal(Q) space, (Qx, Qy, Qz, I)
> +
> +    Parameters
> +    ----------
> +    settingAngles : Nx6 array
> +        six angles of the all the images


Delta, theta, chi , phi , mu , gamma I will discuss this order with Vivek . May be we have to put a drawing of the six circle diffractometer with angles in our documentation ?. Because when you take diffcalc they use different Greek letters. Even you take the six angles diffractometers there are more than one kind of diffractometer, with different rotations On Aug 2, 2014, at 9:30 AM, "Eric Dill" <notifications@github.com<mailto:notifications@github.com><mailto:notifications@github.com>> wrote: In nsls2/recip.py:
return qi + + +def process_to_q(settingAngles, detSizeX, detSizeY, detPixSizeX, + detPixSizeY, detX0, detY0, detDis, waveLen, UBmat, istack): + """ + This will procees the given images (certain scan) of + the full set into receiprocal(Q) space, (Qx, Qy, Qz, I) + + Parameters + ---------- + settingAngles : Nx6 array + six angles of the all the images
what is the order of these setting angles? — Reply to this email directly or view it on GitHub<https://github.com/NSLS-II/NSLS2/pull/5/files#r15729060>.

—
Reply to this email directly or view it on GitHub<https://github.com/NSLS-II/NSLS2/pull/5/files#r15731593>.