Polymer Reference Interaction Site Model (PRISM) theory describes the equilibrium spatial-correlations of liquid-like polymer systems including melts, blends, solutions, block copolymers, ionomers, liquid crystal forming polymers and nanocomposites. Using PRISM theory, one can calculate thermodynamic (e.g., second virial coefficients, Flory-Huggins interaction parameters, potentials of mean force) and structural (eg., pair correlation functions, structure factors) information for these macromolecular materials.

We present the development of pyLLE, a freely accessible Lugiato-Lefever equation solver programmed in Python and Julia and optimized for the simulation of microresonator frequency combs. Examples illustrating its operation and performance are presented.

Python module "optbayesexpt" uses optimal Bayesian experimental design methods to control measurement settings in order to efficiently determine model parameters. Given a parametric model - analogous to a fitting function - Bayesian inference uses each measurement "data point" to refine model parameters. Using this information, the software suggests measurement settings that are likely to efficiently reduce uncertainties. A TCP socket interface allows the software to be used from experimental control software written in other programming languages.

SEDCORR is an open-source Python module designed to correct for the systematic energy deficits in atom probe mass spectra of electrically insulating samples. The assumption of the algorithm is that the mass spectrum for a dataset is conserved throughout the dataset and that any changes to the peak positions arise from an unknown slowly-fluctuating accelerating voltage. For computational speed, the unknown accelerating voltage is determined using a template matching FFT-based cross correlation method.

Python module 'optbayesexpt' uses optimal Bayesian experimental design methods to control measurement settings in order to efficiently determine model parameters. Given an parametric model - analogous to a fitting function - Bayesian inference uses each measurement 'data point' to refine model parameters. Using this information, the software suggests measurement settings that are likely to efficiently reduce uncertainties. A TCP socket interface allows the software to be used from experimental control software written in other programming languages.

SCATMECH is a library of object-oriented C++ computer codes originally developed for disseminating models for polarized light scattering from surfaces and aerosols and for diffraction from gratings. The pySCATMECH package has been developed as an interface to the SCATMECH library, simplifying use of the codes and allowing for more rapid development of software for these applications.

Data for mass concentration analysis and spectral analysis for the paper titled, "Comparison of primary laser spectroscopy and mass spectrometry methods for measuring mass concentration of gaseous elemental mercury"

Database and annotated bibliography of contaminants in tissues from albatross (Family Diomedeidae) species. Database is saved as current Microsoft Access 365 .accdb file and a backward compatible to Access 2000 .mdb file and a Microsoft Excel .xlsx file which has the database output information, introduction with description of headers, and some derived data. A free viewer for Excel is at: https://www.microsoft.com/en-us/p/xlsx-viewer-free/9nblggh6hbf4?activet….

Here we provide curated analytical chemistry data for eggs collected from 1999 to 2010 on a subset of species and analytes that were measured regularly and reasonably systematically. Included in this publication are 487 samples analyzed for 174 ubiquitous environmental contaminants such as (poly)brominated diphenyl ethers (BDEs), mercury, organochlorine pesticides (OCPs), and polychlorinated biphenyls (PCBs). Data were collated to form a dataset useful in chemometric and related analyses of the marine ecosystem in the north Pacific Ocean.

The NIST scan framework is a framework that greatly simplifies the process of writing and maintaining scans of experimental parameters using the ARTIQ control system and language. The framework adopts the philosophy of convention over configuration where datasets are stored for analysis and plotting in a standard directory structure. The framework provides a number of useful features such as automatic calculation of statistics, fitting, validation of fits, and plotting that do not need to be performed by the user.