Search results

# calculates primitive unit cell parameters from the (clustered) difference vectors ...ts out indices (which should be close to integer numbers) corresponding to difference vectors

== Finding out the angular difference between two lattices == ...th were determined for space group P212121), and return the lowest angular difference from all combinations of symmetry-related crystal setting matrices.

...tion of radiation damage. Acta Cryst D62, 96-101]). These lines end with " DIFFERENCE" which may be used for "grepping" them from XDSSTAT.LP: grep DIFFERENCE XDSSTAT.LP > D

...which is omitted from calculations and denoted as CC_{1/2_i}. The difference of the two quantities is ΔCC_1/2.

...the logfile of the IDXREF "job". It reports on aspects of the analysis of difference vectors, the lattice(s) encountered, their interpretation in terms of 44 Br NUMBER OF DIFFERENCE VECTOR CLUSTERS USED 198

...some other systematic difference, that cannot be interpreted as coordinate difference, exists between data sets. Candidates are many kinds of sources of systemat

So all the difference vectors are integral, which gives us confidence into the primitive cell par DH,DK,DL mean absolute difference between observed and

* there is ''no conceptual difference'' in XDS ''between overlap in x,y'' (due to too close detector, or smeared

...grated with the different programs (XDS, mosflm, hkl2000...): is there any difference in the final quality of the data set? ===

...S WITH RESPECT TO REC. LATTICE BASIS VECTORS" should show close-to-integer difference vectors. The following is an example how it should ''not'' look like: Do you see the half-integer difference vectors in the last column? This clearly indicates that the third axis abov

* inspect the table of R_d values (the lines ending with 'DIFFERENCE') and find out if you have systematically rising R_d which would be an indi

This shows the cell parameters as expected, and the difference vectors are indeed close to integers, as they should be. Continuing ... DH,DK,DL mean absolute difference between observed and

...r for a single dataset, but for mass processing of datasets it does make a difference.

The advantage of doing this is that one may easily calculate an anomalous difference Fourier map (this can e.g. be performed in [coot]) to identify ions in the

...ends on radiation damage. This is calculated as a function of frame number difference and the linear rise indicates significant radiation damage that should be c ...he anomalous signal of both datasets is so strong, and their (isomorphous) difference is weak (after all, the correlation coefficient is 1.000 !)

SigAno = mean anomalous difference in units of its estimated

SigAno = mean anomalous difference in units of its estimated

...o wavelengths of a MAD experiment can be better than 0.9995 if there is no difference in radiation damage (in other words, the dispersive signal does not seem to

...fortunately, for this dataset this "R-factor as a function of frame number difference" behaves wildly, so we cannot use 0-dose extrapolation, like we successfull

...practical purposes (the 8 reflections known to be extinct do not make much difference).