From 7ef991f970e23567b996d4a370096621c9de7ee6 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Gr=C3=B6ne=2C=20Tjark=20Leon=20Raphael?= <tjark.leon.raphael.groene@uni-hamburg.de> Date: Wed, 2 Apr 2025 12:53:01 +0000 Subject: [PATCH] Update file README.md --- README.md | 3 +++ 1 file changed, 3 insertions(+) diff --git a/README.md b/README.md index 7b1dd16..ef6ad57 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,9 @@ # Scipt base ## Usage +> Note: This is a batch processing script. If you perform PDF processing with it, prior you should check the last scan in xPDFsuite to finde some good parameters. +Also note that in order to fit the PDF you need to use one of the diffpy scripts provided afterwards. + The FlyPDF code is used to plot I(Q) data and generate a baclkground subtracted PDF from it. It is possible to view the background subtracted I(Q) from a single file or from a howl batch as a 2D data map or 1D overlayed plot. Different referecnes can be loaded from .cif files and plotted against single files in the batch. Temperature files can be given and inforamtion can be plotted alog with the I(Q) or PDF data. Background subtraction can be held simple by an averaged file and a given factor or a dynamicly calculated factor. It is also possible to subtracted from temperature dependend background, even if sample is averaged. -- GitLab