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Experiment Setup | ||
================ | ||
Data that is processed by the NXRefine package are stored as HDF5 files | ||
stored according to the `NeXus format <http://www.nexusformat.org/>`_, | ||
which is an international standard for the storage of x-ray and neutron | ||
scattering data. NXRefine uses a hierarchical folder structure to | ||
store both the experimental data, ingested from the raw data generated | ||
on an x-ray beamline, and processed data generated by the data reduction | ||
workflow. Scripts and plugins to the NeXpy GUI are used to facilitate | ||
the creation of both the folder hierarchy and the NeXus files | ||
themselves. | ||
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In the next section, we will describe the workflow used to both ingest | ||
the raw data and transform it into reciprocal space coordinates and | ||
pair-distribution-functions. In this section, we will describe the | ||
framework, within which these processes function. | ||
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Experiment Files | ||
---------------- | ||
NXRefine assumes that measurements on a set of samples can be grouped | ||
together as a single experiment, typically scheduled within the same | ||
time period. For example, measurements at synchrotron x-ray facilities | ||
are often grouped by the proposal number used to acquire beam time, and | ||
are therefore labelled by a proposal number and/or a run cycle. For | ||
example, on beamline 6-ID-D at the Advanced Photon Source, measurements | ||
resulting from Proposal No. GUP-75969 may be scheduled in a specific | ||
run cycle, say 23-1, and stored in ``/data/GUP-75969-23-1``. | ||
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Here is the structure of an experiment directory:: | ||
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experiment | ||
└── tasks | ||
├── nxdatabase.db | ||
├── settings.ini | ||
└── calibrations | ||
├── CeO2_87keV_600mm.tiff | ||
└── configurations | ||
├── exp_87keV_600mm.nxs | ||
└── sample1 | ||
└── label1 | ||
├── sample1_100K.nxs | ||
├── sample1_200K.nxs | ||
└── sample1_300K.nxs | ||
└── label2 | ||
└── sample1_300K.nxs | ||
├── sample2 | ||
├── sample 3 |
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