From b8317261ae3147ff4efc41bec47f6f972963baa2 Mon Sep 17 00:00:00 2001 From: Rubel Date: Fri, 1 Dec 2023 13:41:17 +0100 Subject: [PATCH] Including lukus sugestion. --- pynxtools/dataconverter/readers/xrd/README.md | 22 +++++++++---------- 1 file changed, 11 insertions(+), 11 deletions(-) diff --git a/pynxtools/dataconverter/readers/xrd/README.md b/pynxtools/dataconverter/readers/xrd/README.md index bd92e76ff..6d72c0c7b 100644 --- a/pynxtools/dataconverter/readers/xrd/README.md +++ b/pynxtools/dataconverter/readers/xrd/README.md @@ -1,17 +1,15 @@ -# XRD reader -By XRD reader data can read from X-ray diffraction experiment and write in a nexus (h5 type file with extension .nxs) according to NXxrd_pan application definition in NeXus, github repository (https://github.com/FAIRmat-NFDI/nexus_definitions). There are a few methods e.g. 1. θ:2θ instrument (e.g. Rigaku H3R), 2. θ:θ instrument (e.g. PANalytical X’Pert Pro). The goal with this reader to support both of that methods. +# XRD Reader +With the XRD reader, data from X-ray diffraction experiment can be read and written into a NeXus file (h5 type file with extension .nxs) according to NXxrd_pan application definition in [NeXus](https://github.com/FAIRmat-NFDI/nexus_definitions). There are a few different methods of measuring XRD: 1. θ:2θ instruments (e.g. Rigaku H3R), and 2. θ:θ instrument (e.g. PANalytical X’Pert Pro). The goal with this reader is to support both of these methods. -**NOTE: At this moment the reader can handle file with extension `.xrdml` of version (1.5) for method-2. This reader still under development. Currently we are woking to include more file types and file versions.** +**NOTE: This reader is still under development. As of now, the reader can only handle files with the extension `.xrdml` , obtained with PANalytical X’Pert Pro version 1.5 (method 2 described above). Currently we are wtoking to include more file types and file versions.** -## Contact persion in FAIRmat -In principle any one from Area-B of FAIRmat consortium can be reached out, but Rubel Mozumder could be more reasonable for the early response. +## Contact Person in FAIRmat +In principle, you can reach out to any member of Area B of the FAIRmat consortium, but Rubel Mozumder could be more reasonable for the early response. ## Parsers Though, in computer science, parser is a process that reads code into smaller parts (called tocken) with relations among tockens in a tree diagram. The process helps compiler to understand the tocken relationship of the source code. -Here, usully we call a program or class that reads the experimenal input file and relate the different physical/experiment concepts or propertise in a certain structure which defined by developer. The relation is a slash separated string, for example (according to xrdml file) `{/XRDmeasurement/Datapoints/position_1/axis : 2theta}`, which reads the root element or coponent is `XRDmeasurement` with sub-element `Datapoints` with sub-element `position_1` that has a attribute or an element `axis` refering `2theta values`. In this reader, a parser that parsers a specific file type from a specific xrd method. Some of the parser features with annotated below: - -**NOTE: there are several parserS will be available in future.** +The XRD reader calls a program or class (called parser) that reads the experimenal input file and re-organises the different physical/experiment concepts or properties in a certain structure which is defined by developer. ### class pynxtools.dataconverter.readers.xrd.xrd_parser.XRDMLParser @@ -21,13 +19,15 @@ Here, usully we call a program or class that reads the experimenal input file an **Important method:** get_slash_separated_xrd_dict() -> dict - This method can be used to check if all the data from input file have been read or not, it returns the slash separated dict as described. + This method can be used to check if all the data from the input file have been read or not, it returns the slash separated dict as described. + -### Other parsers +### Other Parsers **Coming Soon!!** ### How To -Reader can be run from Jupyter-notebook or Jupyter-lab with the follwoing command: +The reader can be run from Jupyter-notebook or Jupyter-lab with the following command: + ```sh ! dataconverter \ --reader xrd \