[Ifeffit] Smoothing aligned data in Athena

[Godfrey, Ian]

Dear All,


I have a bug to report when using the Athena data smoothing feature with aligned data. Exemplar project and log files are attached, along with a screenshot. I am running Windows 10 x64 with Athena 0.9.25 x64.


Summary:

When using the data smoothing feature in Athena with data that has previously been aligned using the alignment feature, the smoothing is performed on the non-aligned data, and the resulting, processed dataset is shifted in E.


Recipe:


Open Athena

Import a dataset that has a reference channel

Import a second dataset with reference

Import a standard dataset, with a slightly off alignment wrt to the first two datasets (I imported all three from Athena projects, rather than raw datafiles)

Use the alignment tool to align the reference channel of one of the datasets to the standard (I used the automatic alignment)

Go to the smoothing tool. You can immediately see that the smoothed curve is in the wrong place for the aligned dataset.

The dataset that wasn't aligned will appear correctly


Many thanks,


Ian



----

Ian Godfrey



PhD Student,

UCL/JAIST Programme


Industrial Doctorate Centre in Molecular Modelling and Materials Science,

Department of Chemistry,

University College London



and



School of Materials Science,

Japan Advanced Institute of Science and Technology



i.godfrey at ucl.ac.uk<mailto:i.godfrey at ucl.ac.uk> i.godfrey at jaist.ac.jp<mailto:i.godfrey at jaist.ac.jp>
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