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The standard technique for sub-pixel estimation of atom positions from atomicresolution scanning transmission electron microscopy images relies on fittingintensity maxima or minima with a two-dimensional Gaussian function. While thisis a widespread method of measurement, it can be error prone in images withnon-zero aberrations, strong intensity differences between adjacent atoms or insituations where the neighboring atom positions approach the resolution limitof the microscope. Here we demonstrate mpfit, an atom finding algorithm thatiteratively calculates a series of overlapping two-dimensional Gaussianfunctions to fit the experimental dataset and then subsequently uses a subsetof the calculated Gaussian functions to perform sub-pixel refinement of atompositions. Based on both simulated and experimental datasets presented in thiswork, this approach gives lower errors when compared to the commonly usedsingle Gaussian peak fitting approach and demonstrates increased robustnessover a wider range of experimental conditions.

MPFit: A robust method for fitting atomic resolution images with multiple Gaussian peaks