21 May
2006
21 May
'06
1:23 p.m.
Hi Francesco, Yes, I believe that Artemis calculates the residual incorrectly for chi(k) data which is not on the strictly uniform k-grid [0.0,0.05,0.10,...] Ang^-1. Ifeffit does the fit correctly (it internally interpolates the data to the uniform grid), and writes the best-fit result with this k-grid (and this is a feature, not a bug). Artemis calculates the residual itself, and doesn't check if the k-array for data and fit match. Sorry for the trouble, and hope that helps. Both Bruce and I have been swamped with other work the last year or so that such bug fixes take a lot of time to get fully resolved and released. --Matt