Hi Soyoung, On Fri, Oct 8, 2021 at 5:29 PM Soyoung Kim <soy...@lbl.gov> wrote:
> I see. Thank you for the quick reply. > > But would it be difficult to program it so that it will export properly, > e.g., with multiple energy axes? > Sorry for the slight delay, and I have two answers here: In general, it depends on what "export properly" means. If you save the project file, the original, differing energy arrays will be retained. If you export to a simple ASCII column file (which is pretty ubiquitous in scientific data), then each numeric row will be (or perhaps "is likely to be") interpreted as the same "x" axis (energy or perhaps time - the independent variable). So, if you have multiple sets of data with differing x/energy values, either you have missing values for some data sets or you have data in rows without a consistent x/energy, and possibly a different number of rows per column. Many programs will struggle with such data files. But.... Because when the data is plotted as a graph, it is hard to tell whether or > not the x-axes are the same... And if you are processing data from someone > else, you may not know whether or not they were collected with the same > energy step settings. > That's all true. And also: it looks to me that the exported data from this project looks like it is not interpolated as well as it could be. There is a definite shift in energy in the EXAFS region. If I read that project into Larch's XAS Viewer and export it as a CSV file it also interpolates all arrays onto a single energy grid (by default, the first data set) and it looks better to me (see attached file -- needs development version of XAS Viewer for this level of details). I'm not entirely sure where the problem is. It does look like one of the data sets has two energy points that are very close together as the data transitions from constant energy steps in the XANES region to wider steps in the EXAFS region. That should not cause a problem, but I think that I do recall that there were some such problems in the past. We've tried to make XAS Viewer a replacement for Athena and Artemis. I am aware of a few missing features, but there are also several features not in Athena. I can say that it would be easier for me to fix things with Larch/XAS Viewer than it is for me to fix things in Athena. I'm not sure that resolves the issue, but I hope it helps. --Matt
# 2 files saved Sun Oct 10 23:05:24 2021 # saving x array='energy', y array='norm' # data1: data1 # data2: data2 #------------------------------------------ # energy data1 data2 4815.000000 0.001453 0.001690 4825.000000 0.000822 0.000912 4835.000000 0.000460 0.000493 4845.000000 0.000130 0.000096 4855.000000 -0.000157 -0.000221 4865.000000 -0.000333 -0.000342 4875.000000 -0.000527 -0.000602 4885.000000 -0.000622 -0.000622 4895.000000 -0.000661 -0.000545 4905.000000 -0.000571 -0.000717 4915.000000 -0.000355 -0.000431 4925.000000 -0.000194 -0.000183 4925.250000 -0.000099 -0.000090 4925.500000 -0.000137 -0.000026 4925.750000 -0.000035 -0.000216 4926.000000 -0.000138 -0.000093 4926.250000 -0.000087 -0.000057 4926.500000 -0.000022 -0.000131 4926.750000 -0.000073 -0.000043 4927.000000 -0.000054 -0.000015 4927.250000 -0.000077 0.000022 4927.500000 -0.000022 -0.000022 4927.750000 -0.000031 -0.000060 4928.000000 0.000007 -0.000111 4928.250000 -0.000007 -0.000012 4928.500000 0.000024 0.000120 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