Use of PyF PyFAI AI/Ju Jupyte yter No Notebook to help processing data gathered on cultural heritage artefacts on D2AM beamline Florian Kergourlay, Pauline Martinetto, Nils Blanc, Nathalie Boudet, Stephan Arnaud, Catherine Dejoie, Pierre Bordet, Jean-Louis Hodeau, Claire Chanteraud
Experimental corpus Savoy Duchy, France, 1460-1530 13 locations / 18 statues / more than 100 samples Bourg en Bresse Montrottier Duingt Lémenc Rossillon St Offenge Le Bourget-du-Lac Chamoux Aime Barberaz St Léger Myans Oulx
Experimental methodology applied brocades in in sit itu an anal alysis microsampl mi mples XRD, XRF, 3D imaging, (Arc-Nucleart) hyperspectral (LAMS, NU-ACCESS, NEEL) wit with preparatio ion wit without preparatio ion 2D and 3D 2D 3D elementary 2D 2D elementary 2D molecular 2D 2D structural 2D and structural an al co composition co composition co composition Organic materials Or co composition SEM-EDS (Arc-Nucléart) ATR-µFTIR (ID21) µXRD (ALS) FTIR (ID21) µXRF/µXRD in µXRF (ID21, ALS) GC-MS (NU-ACCESS) µXANES (ID21) reflexion and CT (D2AM)
Experimental methodology applied brocades in in sit itu an anal alysis microsampl mi mples XRD, XRF, 3D imaging, (Arc-Nucleart) hyperspectral (LAMS, NU-ACCESS, NEEL) wit with preparatio ion wit without preparatio ion 2D and 3D 2D 3D elementary 2D 2D elementary 2D molecular 2D 2D structural 2D and structural an al co composition co composition co composition Organic materials Or co composition SEM-EDS (Arc-Nucléart) ATR-µFTIR (ID21) µXRD (ALS) FTIR (ID21) µXRF/µXRD in µXRF (ID21, ALS) GC-MS (NU-ACCESS) µXANES (ID21) reflexion and CT (D2AM)
Definitions Goniometer an instrument that allows an Go object to be rotated to a precise angular position t2D a multi-purpose data reduction, analysis Fi Fit2D and visualization program Py PyFAI Fast Azimuthal Integration using python tebook open-source web Ju Jupyter no noteb application that allows to create and share documents containing live code, visualizations and narrative text
µXRF/µXRD, rotating anode in laboratory in reflexion, motionless detector and sample (one geometry) 17 keV ü 30x600 µ m 2 beamsize ü flux of about 10 6 photons/s ü 90min/point ü
µXRF/µXRD, rotating anode in laboratory in reflexion, motionless detector and sample (one geometry) 17 keV ü 30x600 µ m 2 beamsize ü flux of about 10 6 photons/s ü 90min/point -> 1 XRD diagram ü
µXRF/µXRD, synchrotron source on D2AM XRD XR source XRF in reflexion, moving detector (multigeometry goniometer) 20 keV ü 30x40 µ m 2 beam with KB mirrors ü flux of about 10 8 photons/s ü 2s/point ü
µXRF/µXRD, synchrotron source on D2AM Fit2D XRD XR source XRF in reflexion, moving detector (multigeometry goniometer) 20 keV ü 30x40 µ m 2 beam with KB mirrors ü flux of about 10 8 photons/s ü 2s/point -> 20 XRD diagrams/different geometries ü
µXRF/µXRD-CT, synchrotron source on D2AM z XRD x sample XR source XRF in transmission, moveable sample in rotation and translation 20 keV ü 30x40 µ m 2 beam with KB mirrors ü flux of about 10 8 photons/s ü 1s/point ü 500 µm sample mounted on a “racket” on a goniometer ü continuous acquisition on 360° every 2° (180 rotations) ü for a defined range of x (40-80 translations) and z ü omega 3 min / 360° -> 2-4h / layer ü
µXRF/µXRD-CT, synchrotron source on D2AM Fit2D z XRD x sample XR source XRF in transmission, moveable sample in rotation and translation 20 keV ü 30x40 µ m 2 beam with KB mirrors ü flux of about 10 8 photons/s ü 1s/point -> 10000 XRD diagrams ü 500 µm sample mounted on a “racket” on a goniometer ü continuous acquisition on 360° every 2° (180 rotations) ü for a defined range of x (40-80 translations) and z ü omega 3 min / 360° -> 2-4h / layer ü
Use of PyFAI+Jupyter Notebook
Use of PyFAI+Jupyter Notebook 1 st case XRD in reflexion mode with moveable detector import dedicated libraries/modules definition of the direct beam (poni: points of normal incidence) load images and calibrants for fitting poni definition of the goniometer parameters definition of the geometry refinement geometry refinement function definition of the multigeometry integrator
Use of PyFAI+Jupyter Notebook 1 st case XRD in reflexion mode with moveable detector import dedicated libraries/modules definition of the direct beam (poni: points of normal incidence) load images and calibrants for fitting poni definition of the goniometer parameters definition of the geometry refinement geometry refinement function definition of the multigeometry integrator
Use of PyFAI+Jupyter Notebook 1 st case XRD in reflexion mode with moveable detector import dedicated libraries/modules definition of the direct beam (poni: points of normal incidence) load images and calibrants for fitting poni definition of the goniometer parameters definition of the geometry refinement geometry refinement function definition of the multigeometry integrator
Use of PyFAI+Jupyter Notebook 1 st case XRD in reflexion mode with moveable detector import dedicated libraries/modules definition of the direct beam (poni: points of normal incidence) load images and calibrants for fitting poni definition of the goniometer parameters definition of the geometry refinement geometry refinement function definition of the multigeometry integrator
Use of PyFAI+Jupyter Notebook 1 st case XRD in reflexion mode with moveable detector import dedicated libraries/modules definition of the direct beam (poni: points of normal incidence) load images and calibrants for fitting poni definition of the goniometer parameters definition of the geometry refinement geometry refinement function definition of the multigeometry integrator
Use of PyFAI+Jupyter Notebook 1 st case XRD in reflexion mode with moveable detector import dedicated libraries/modules definition of the direct beam (poni: points of normal incidence) load images and calibrants for fitting poni definition of the goniometer parameters definition of the geometry refinement geometry refinement function definition of the multigeometry integrator
Use of PyFAI+Jupyter Notebook 1 st case XRD in reflexion mode with moveable detector import dedicated libraries/modules definition of the direct beam (poni: points of normal incidence) load images and calibrants for fitting poni definition of the goniometer parameters definition of the geometry refinement geometry refinement function definition of the multigeometry integrator
Use of PyFAI+Jupyter Notebook 2 nd case XRD in transmission and tomography mode
µXRF/µXRD-CT processing workflow XRF XRD azimuthal integration N x x N w diffraction patterns N x x N w spectra N x x N w diffraction images
µXRF/µXRD-CT processing workflow XRF XRD azimuthal integration sum spectra x N x x N w diffraction patterns N x x N w spectra N x x N w diffraction images sum pattern x w global sinogram w global sinogram
µXRF/µXRD-CT processing workflow XRF XRD azimuthal integration sum spectra x N x x N w diffraction patterns N x x N w spectra N x x N w diffraction images sum pattern x w global sinogram selective element sinograms w selective phase sinograms global sinogram
µXRF/µXRD-CT processing workflow XRF XRD azimuthal integration sum spectra x N x x N w diffraction patterns N x x N w spectra N x x N w diffraction images sum pattern x w global sinogram y y selective element sinograms 200 µm 200 µm x x reconstruction reconstruction gypsum (CaSO4.2H2O) Ca w selective phase sinograms global sinogram cinnabar (HgS) Hg
µXRF/µXRD-CT processing workflow XRF XRD azimuthal integration sum spectra x N x x N w diffraction patterns N x x N w spectra N x x N w diffraction images sum pattern x w global sinogram y y selective element sinograms 200 µm 200 µm x x reconstruction reconstruction gypsum (CaSO4.2H2O) Ca w selective phase sinograms global sinogram cinnabar (HgS) Hg
Use of PyFAI+Jupyter Notebook 2 nd case XRD in transmission and tomography mode import dedicated libraries/modules azimuthal integration definition of functions results
Use of PyFAI+Jupyter Notebook 2 nd case XRD in transmission and tomography mode import dedicated libraries/modules azimuthal integration definition of functions results
Use of PyFAI+Jupyter Notebook 2 nd case XRD in transmission and tomography mode import dedicated libraries/modules azimuthal integration definition of functions etc … results
Use of PyFAI+Jupyter Notebook 2 nd case XRD in transmission and tomography mode import dedicated libraries/modules azimuthal integration definition of functions results
Conclusion PyFAI • useful library to process huge amount of data • very efficient for azimuthal integration • fast and versatile • a lot of libraries/modules • Jupyter Notebook • super practical to use during an experiment and come back later • easy to interact with • easy to share • easy to keep as a logbook • -> PyF PyFAI AI + + Ju Jupyter No Notebo ebook: po power erful ul combi bina nation n for da data pr proces essing ng
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