Notebook to help processing data gathered on cultural heritage - - PowerPoint PPT Presentation

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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


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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

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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

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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)

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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)

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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

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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

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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

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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

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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

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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

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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

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Use of PyFAI+Jupyter Notebook

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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

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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

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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

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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

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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

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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

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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

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Use of PyFAI+Jupyter Notebook 2nd case XRD in transmission and tomography mode

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µXRF/µXRD-CT processing workflow

XRF XRD

Nx x Nw spectra azimuthal integration Nx x Nw diffraction images Nx x Nw diffraction patterns

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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

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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

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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

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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

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Use of PyFAI+Jupyter Notebook 2nd case XRD in transmission and tomography mode

import dedicated libraries/modules azimuthal integration definition of functions results

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Use of PyFAI+Jupyter Notebook 2nd case XRD in transmission and tomography mode

import dedicated libraries/modules azimuthal integration definition of functions results

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Use of PyFAI+Jupyter Notebook 2nd case XRD in transmission and tomography mode

import dedicated libraries/modules azimuthal integration definition of functions results

etc …

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Use of PyFAI+Jupyter Notebook 2nd case XRD in transmission and tomography mode

import dedicated libraries/modules azimuthal integration definition of functions results

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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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thank you for your attention