Accurate Direct Beam Position Now in Image Header

This is the polynomial equation for calculating x-beam:

Xpoly2D(r,t) = Xc + Xr1*r + Xt1*t + Xr2*r2 + Xr3*r3 + Xr4*r4 + Xrt1*r*t

The coefficients:

Xc              = 156.011
Xr1             = 0.00128001
Xr2             = -5.2293e-06
Xr3             = 4.64778e-09
Xr4             = -1.21722e-12
Xt1             = 0.0152727
Xrt1            = 7.19852e-05

and this is the polynomial equation for calculating y-beam:

Ypoly2D(r,t) = Yc - r*tan(t) + Yr1*r + Yt1*t + Yr2*r2 + Yr3*r3 + Yr4*r4 + Yrt1*r*t

The coefficients:

Yc              = 157.417
Yr1             = 1.77669e-05
Yr2             = 1.8827e-06
Yr3             = -1.27893e-09
Yr4             = 1.8721e-13
Yt1             = -0.0402058
Yrt1            = -1.70116e-05

We’ve converted the equations above into Tcl/Tk syntax and written a scripted operation for DCSS to continually update the x-beam and y-beam values each time CCD_Z or 2-Theta change. The detector DHS then writes these values into the image header as:

BEAM_CENTER_X=156.30
BEAM_CENTER_Y=157.95

We also convert the above ADXV values to the HKL2000/Denzo convention and report them as:

DENZO_X_BEAM=157.21
DENZO_Y_BEAM=156.30

Unfortunately HKL2000 does not read the direct beam values from the image header but instead uses the values in found in the site.def file. Until HKL2000 changes their code to use the values in the header you can manually grab the values, either by inspecting your images in adxv or with the following command from a terminal shell:

head -30 your_sweet_data_collected_at_sibyls.img | grep DENZO

which will return:

DENZO_X_BEAM=157.21;
DENZO_Y_BEAM=156.30;