Hi Everyone, I've just posted Ifeffit 1.2.5 on the Ifeffit web pages and to Sourceforge.net. Source code, full windows installer, and Mac OS 10.3 installer are available. The automatic update for windows should be posted in the next couple of days. There are several bug fixes / improvements in the base Ifeffit library. Very briefly, the changes are: - improved feff path lists - fixed problems with spline() clamps - fixed problems with restraints in feffit(), - chi_noise() now estimates 'kmax_suggest', approximately the k-value above which the data is dominated by noise. - added random() command to generate arrays of random numbers. - screen messages for autobk/feffit/feff6 are now sent to a *.run file, and any errors cause a *.err file to be written. On Windows and Mac, the 'choose an input file' wrapper for these programs warn if an error happened, and offer to show you the *.run file. A more complete list of changes is below. The Windows installer contains (what I believe are) the latest versions of Athena, Artemis, and SixPack. The Mac version includes the latest versions of Athena and Artemis. Let me know if you have any questions or problems, --Matt * Version 1.2.5: bug fixes, improved feff path lists, fixed problems with spline() clamps, restraints in feffit(), altered screen messages for autobk/feffit/feff6, and added random() command to generate arrays of random numbers. - path lists for feffit(), ff2chi(), erase(), and show() can now range over undefined paths, so that feffit(1-100,...) will use all *currently defined* paths between 1 and 100 (inclusive), even if only paths 2, 8, and 55 are defined. Here are some related changes: o path indices are strictly checked to be in the range 1..9999. o since the maximum path index is 9999, the list '1-9999' means 'all defined paths'. This can be abbreviated as 'all', as in: ff2chi(all,group=ff) which will sum all curently defined paths. o erase(@paths) and erase(@path=all) are now equivalent, both erasing all defined paths. o when erasing a path, the feff data associated with a path will be freed (if it's not in use by another path) so that new feff paths can be used. - added random() command, to generate an array of random numbers, using uniform, gaussian, or normal distributions. syntax is: random(output=my.random, npts=200, dist=normal, sigma=2.) where sigma will be (approximately) the standard deviation of the normal and gaussian distributions, or the scale of the uniform distribution. Sigma is 1 unless explicitly set. You can optionally reset the seed of the random number generator with the seed keyword. The gaussian and normal distribution appear very similar, and can both be used to simulate noise in data. - chi_noise() now generates 'kmax_suggest', an estimate of the maximum usable k-value for the data, based on the estimated noise in the data. In early tests, this appears to be a reasonable estimate for 'noisy data', and a bit pessimistic for clean data. Please use view this value as a guide. - clamps in spline() now try to bring chi() to zero at kmax/emax and kmin/emin instead af last and first data point. - an error in feffit() for how multiple restraints were applied has been fixed. multiple restraints can now be applied and mixed freely with multiple k-weights and multiple data sets. - improved screen messages printed by autobk/feffit/feff6: o replaced all print* statements with 'call echo()' o messages 'echo'ed to the screen are now 'tee'd to the run files autobk/feffit/feff6.run o replace all 'stop' statements with a 'call echo()' and the creation of an error file autobk/feffit/feff6.err. If this file exists after a run of autobk/feffit/feff6, then an error did occur; after successful runs, the error file will not exist.