GIXD data and corresponding fits for machine learning

This dataset contains grazing incidence x-ray diffraction (GIXD) maps projected in q-space. It contains different steps of crystallization and annealing of various perovskite thin films prepared by spin coating. This includes various 2D and 3D perovskites with varying cations (cesium,methylammonium, formamidinium, or their mixtures), anions (iodine, bromine), andspacer molecules (Phenethylammonium, phenylenedimethylammonium, pentafluorophenylethylammonium or (1-adamantyl)methylammonium) in 2D perovskites. The selected patterns contain features corresponding to the final perovskite structures as well as different intermediate products (e.g. complexes with the solvents) and precursors (lead iodide, lead bromide, etc.). A glass covered with indium tin oxide (ITO) or fluorine-doped tin oxide (FTO) and (optionally) mesoporous titanium oxide layers was used as a substrate.

The dataset contains the Q-space maps as well as their corresponding metadata:

Angle of incidence

Name of the detector

Detector pixel size

Energy of the beam

Facility

Horizontal axis (Qxy) range

Vertical axis (Qz) range

All Bragg peaks on the Q-space maps are annotated by a Gaussian fit on top of a linear background:

Center of the azimuthal angle ('angle') [degree]

Extent of the azimuthal angle ('angle_std') [degree]

Level of the linear background, beginning at beam center ('background_level') [intensity counts]

Slope of the linear background, beginning at beam center ('background_slope') [intensity counts]

Radial peak position ('radius') [pixels]

beam center starts with radius 0 

maximum radius is sqrt((Qxy-pixel-range)²+(Qz-pixel-range)²)

Full width half maximum of gaussian fit in radial direction ('width') [pixels]

Confidence level ('confidences') [float]

0.1 low confidence

0.5 medium confidence

1. high confidence