Notebook to help processing data gathered on cultural heritage - - PowerPoint PPT Presentation
Notebook to help processing data gathered on cultural heritage - - PowerPoint PPT Presentation
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
Rossillon Lémenc Le Bourget-du-Lac Myans Oulx Aime Barberaz Chamoux Duingt Bourg en Bresse St Offenge St Léger
Savoy Duchy, France, 1460-1530 13 locations / 18 statues / more than 100 samples
Experimental corpus
Montrottier
Experimental methodology
applied brocades
in in sit itu an anal alysis XRD, XRF, 3D imaging, hyperspectral
(LAMS, NU-ACCESS, NEEL)
mi microsampl mples
(Arc-Nucleart)
wit with preparatio ion wit without preparatio ion
2D 2D elementary co composition SEM-EDS (Arc-Nucléart) µXRF (ID21, ALS) 2D 2D molecular co composition ATR-µFTIR (ID21) GC-MS (NU-ACCESS) 2D 2D structural co composition µXRD (ALS) µXANES (ID21) Or Organic materials FTIR (ID21) 2D 2D and 3D 3D elementary an and structural al co composition µXRF/µXRD in reflexion and CT (D2AM)
Experimental methodology
applied brocades
in in sit itu an anal alysis XRD, XRF, 3D imaging, hyperspectral
(LAMS, NU-ACCESS, NEEL)
mi microsampl mples
(Arc-Nucleart)
wit with preparatio ion wit without preparatio ion
2D 2D elementary co composition SEM-EDS (Arc-Nucléart) µXRF (ID21, ALS) 2D 2D molecular co composition ATR-µFTIR (ID21) GC-MS (NU-ACCESS) 2D 2D structural co composition µXRD (ALS) µXANES (ID21) Or Organic materials FTIR (ID21) 2D 2D and 3D 3D elementary an and structural al co composition µXRF/µXRD in reflexion and CT (D2AM)
Definitions
Go Goniometer an instrument that allows an
- bject to be rotated to a precise angular
position Fi Fit2D t2D a multi-purpose data reduction, analysis and visualization program Py PyFAI Fast Azimuthal Integration using python Ju Jupyter no noteb tebook open-source web 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) ü 17 keV ü 30x600 µm2 beamsize ü flux of about 106 photons/s ü 90min/point
µXRF/µXRD, rotating anode in laboratory
in reflexion, motionless detector and sample (one geometry) ü 17 keV ü 30x600 µm2 beamsize ü flux of about 106 photons/s ü 90min/point -> 1 XRD diagram
µXRF/µXRD, synchrotron source on D2AM
in reflexion, moving detector (multigeometry goniometer) ü 20 keV ü 30x40 µm2 beam with KB mirrors ü flux of about 108 photons/s ü 2s/point
XRD XRF XR source
µXRF/µXRD, synchrotron source on D2AM
in reflexion, moving detector (multigeometry goniometer) ü 20 keV ü 30x40 µm2 beam with KB mirrors ü flux of about 108 photons/s ü 2s/point -> 20 XRD diagrams/different geometries
XRD XRF XR source
Fit2D
in transmission, moveable sample in rotation and translation ü 20 keV ü 30x40 µm2 beam with KB mirrors ü flux of about 108 photons/s ü 1s/point ü 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 3 min / 360° -> 2-4h / layer
µXRF/µXRD-CT, synchrotron source on D2AM XRD XRF XR source
sample
500 µm
- mega
z x
in transmission, moveable sample in rotation and translation ü 20 keV ü 30x40 µm2 beam with KB mirrors ü flux of about 108 photons/s ü 1s/point -> 10000 XRD diagrams ü 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 3 min / 360° -> 2-4h / layer
µXRF/µXRD-CT, synchrotron source on D2AM XRD XRF XR source
sample
500 µm
- mega
z x
Fit2D
Use of PyFAI+Jupyter Notebook
Use of PyFAI+Jupyter Notebook 1st 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 1st case XRD in reflexion mode with moveable detector
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 import dedicated libraries/modules
Use of PyFAI+Jupyter Notebook 1st 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 1st 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 1st 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 1st 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 1st 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 2nd case XRD in transmission and tomography mode
µXRF/µXRD-CT processing workflow
XRF XRD
Nx x Nw spectra azimuthal integration Nx x Nw diffraction images Nx x Nw diffraction patterns
µXRF/µXRD-CT processing workflow
XRF XRD
Nx x Nw spectra azimuthal integration Nx x Nw diffraction images Nx x Nw diffraction patterns global sinogram sum pattern sum spectra global sinogram x w x w
µXRF/µXRD-CT processing workflow
XRF XRD
Nx x Nw spectra azimuthal integration selective element sinograms Nx x Nw diffraction images Nx x Nw diffraction patterns selective phase sinograms global sinogram global sinogram sum pattern sum spectra x w x w
µXRF/µXRD-CT processing workflow
XRF XRD
Nx x Nw spectra azimuthal integration selective element sinograms Nx x Nw diffraction images Nx x Nw diffraction patterns selective phase sinograms global sinogram global sinogram reconstruction
x y
200 µm
y
reconstruction
x
200 µm sum pattern sum spectra Ca Hg gypsum (CaSO4.2H2O) cinnabar (HgS) x w x w
µXRF/µXRD-CT processing workflow
XRF XRD
Nx x Nw spectra azimuthal integration selective element sinograms Nx x Nw diffraction images Nx x Nw diffraction patterns selective phase sinograms global sinogram global sinogram reconstruction
x y
200 µm
y
reconstruction
x
200 µm sum pattern sum spectra Ca Hg gypsum (CaSO4.2H2O) cinnabar (HgS) x w x w
Use of PyFAI+Jupyter Notebook 2nd case XRD in transmission and tomography mode
import dedicated libraries/modules azimuthal integration definition of functions results
Use of PyFAI+Jupyter Notebook 2nd case XRD in transmission and tomography mode
import dedicated libraries/modules azimuthal integration definition of functions results
Use of PyFAI+Jupyter Notebook 2nd case XRD in transmission and tomography mode
import dedicated libraries/modules azimuthal integration definition of functions results
etc …
Use of PyFAI+Jupyter Notebook 2nd 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