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Lmfit provides a high-level interface to non-linear optimization and curve fitting problems for Python. Lmfit builds on and extends many of the optimization algorithm of scipy.optimize, especially the Levenberg-Marquardt method from optimize.leastsq. Its enhancements to optimization and data fitting problems include using Parameter objects instead of plain floats as variables, the ability to easily change fitting algorithms, and improved estimation of confidence intervals and curve-fitting with the Model class. Lmfit includes many pre-built models for common lineshapes.
Larch is an open-source library and toolkit written in Python for processing and analyzing X-ray spectroscopic data. The primary emphasis is on X-ray spectroscopic and scattering data collected at modern synchrotron sources. Larch provides a wide selection of general-purpose processing, analysis, and visualization tools for processing X-ray data; its related target application areas include X-ray absorption fine structure (XAFS), micro-X-ray fluorescence (XRF) maps, quantitative X-ray fluorescence, X-ray absorption near edge spectroscopy (XANES), and X-ray standing waves and surface scattering. Larch provides a complete set of XAFS Analysis tools and has support for visualizing and analyzing XRF maps and spectra, and additional tools for X-ray spectral analysis, data handling, and general-purpose data modeling.