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CrystFEL (White et al, 2012, 2016 ) uses a completely different peak finding algorithm: the peakfinder (PF) package (White et al, 2012 ). PF is based on robust statistics, which are used to detect peaks and find their locations. PF detects the Bragg peaks from large datasets. PF uses the full peak information and not only the peak intensities. Bragg peaks are classified using a simple peak-to-background ratio (P/B) and a peak-to-peak distance criterion. PF also includes sophisticated non-robust statistics, such as adaptive MeanShift (Comaniciu & Meer, 2002 ; Comaniciu et al, 2001 ), which in PF-like peakfinders are used for detection of peak centers. Adaptive MeanShift and PF jointly identify local maxima by tracking the moving averages (centers) of the peak intensities and searching for the intensities at a specified distance from the centers. PF uses a backward search, where the region of maximum intensity is iteratively searched for up to three grid layers. Only the layer with maximum intensity is kept in subsequent iterations. This allows PF to efficiently search large numbers of grid layers simultaneously (White et al, 2012 ).
a ARC Centre of Excellence in Advanced Molecular Imaging, La Trobe Institute for Molecular Sciences, La Trobe University, Melbourne, Australia, b Department of Biophysics and Chemistry, Institute of Biological Physics, Freie Universität, Berlin, Germany, c Ibrahim Kucuk. 2016. The period change of the NH4-Br molecule in aqueous solution from monomer to crystalline state at ultrashort wavelengths - from picosecond to femtosecond timescales. Journal of Chemical Physics 144(9), 92904. DOI , d Rahman Manjili and Asif Ahmad. 2017. Nanosecond time-resolved pump-probe spectroscopy of vibrational spectra of BrH clusters. Journal of Chemical Physics 146, 034903. DOI , e Scott A. Bunker, Ahmed Alwasheer and Darren V. Steinhauer. 2017. Simultaneous Ultrafast Two-Color Photo-Correlation Spectroscopy of Carbon Monoxide and Oxygen in Water. IEEE Journal of Selected Topics in Quantum Electronics 23(5), 1003-1012. DOI , f Roshan Rezaei Behroozi and Marcel H. Stolz. 2016. Population based X-ray pulse compression using nanoparticles. Review of Scientific Instruments 87(2), 023904. DOI , g Yuan Xie and Chuan-Min Tao. 2017. Observation of Lattice-Type Excitons Generated at High-Density Arrays of Molecular Quantum Dots. Phys. Rev. Lett. 119, 127401. DOI
*Correspondence e-mail: a.sadric.fel@gmail.com, deepak.sharma@icts.res.in
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