John W. Campbell

Class, constructor and methods:

Class DetailsAccessible Fields

Constructor

Setting Method

- Package:
- Jdl.JdlPX;
- Class name:
- JdlSetting3DFT
- Class definition:
- public class JdlSetting3DFT
- Extends:
- Object
- Implements:
- none
- Actions:
- none

- static boolean show_debug

Constructor:

Constructor*Constructor Definition:*- public JdlSetting3DFT(JdlSearchImageSpotsList spotlist, JdlCell cell, int latt, Jdl3x3 umat, JdlPositionedDetector posdet, double x_cen, double y_cen, double pixsiz_x, double pixsiz_y, JdlDistortionCorrections distor)
*Parameters List:*- spotlist
- A list of spot positions found from an image search.
- cell
- The cell parameters.
- latt
- The lattice type 1-7.
- umat
- The 'U' matrix
- posdet
- The positioned detector details.
- x_cen
- The 'x' centre position of the image in rasters.
- y_cen
- The 'y' centre position of the image in rasters.
- pixsiz_x
- The 'x' pixel size in mm.
- pixsiz_y
- The 'y' pixel size in mm.
- distor
- A distortions correction object - may be null if not required.

Methods:

Find setting - findCrystalSetting*Method Definition:*- public JdlSettingSolution[] findCrystalSetting(int method, double ang_tol, JdlProgressHandler progress)
*Parameters List:*- method
- Method number 1 or 2. Two possible methods are available for
finding peaks in a Fourier transform corresponding to the cell vectors.

Method 1: Rotate a vector in appropriate steps around two angles, one through 90 degress and the other through 360 degrees (As done in MOSFLM program) and look for peaks along those vectors at the cell distances (looking at a grid of 9 points around each such position) and calculating the Fourier transform at these points.

Method 2: Search on an orthogonal grid but only calculate Fourier transform values for points which are within 1.5 grid units of a given cell vector length.

As the required parts of the Fourier transforms a very sparse for both methods, a simple Fourier transform calculation is done (but using integer arithmetic) rather than using a Fast Fourier Transform. - ang_tol
- The maximum difference in degrees from an input cell angle to consider as a reasonable match e.g. 2.0 degrees.
- progress
- Progress handler (may be null if not required)

*Method Return:*- Returns an array of JdlSettingSolution objects containing details of possible solutions for the setting. If none are found a null is returned.

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