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multicomplex: C++ and Python code for multicomplex arithmetic
Data provided by National Institute of Standards and Technology
The library multicomplex is an implementation of multicomplex algebra in C++ to allow for higher-order derivatives of numerical functions. Many (though not all) mathematical functions are implemented, allowing for calculation of derivatives (straight and mixed) to approximately numerical precision, which is difficult or impossible to achieve in conventional double precision
Tags: mathematics,multicomplex,derivatives,C++,python,
Modified: 2024-02-22
Views: 0
MAM Consortium Interlaboratory Study Raw Data
Data provided by National Institute of Standards and Technology
These LC-MS and LC-MS/MS raw data were collected for purposes of an interlaboratory study evaluating the multi-attribute method (MAM). Tryptic digests of native NISTmAb (the "Reference" and the "Unknown" samples), degraded NISTmAb (the "pH Stress" sample) and NISTmAb spiked with 15 heavy-labeled synthetic peptides (the "Spike" sample) were sent to each participating laboratory. One injection of each digest was acquired in MS-only mode, while a second injection was acquired in MS/MS mode.
Tags: attribute analytics,interlaboratory study,multi-attribute method,MAM Consortium,mass spectrometry,new peak detection,NPD,purity testing,round robin,targeted analytics,NISTmAb,
Modified: 2024-02-22
Views: 0
Optimal Bayesian Experimental Design
Data provided by National Institute of Standards and Technology
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.
Tags: GitHub pages template,experimental design,Bayesian,optbayesexpt,python,measurement,
Modified: 2024-02-22
Views: 0
Construction of a Dual-enzyme, Subzero (-30 degree C) Chromatography System and Multi-channel Precision Temperature Controller for Hydrogen-Deuterium Exchange Mass Spectrometry
Data provided by National Institute of Standards and Technology
This tutorial provides mechanical drawings, electrical schematics, parts lists, STL files for 3D-printed parts, IGS files, and instructions for automated machining necessary for construction of a dual-protease, subzero, liquid chromatography system for hydrogen-deuterium exchange mass spectrometry. Electrical schematics for construction of a multi-zone temperature controller that regulate to ±0.1 oC are also included in this tutorial.
Tags: liquid chromatography,hydrogen-deuterium exchange,mass spectrometry,precision,peptide,protein,proteolysis,proteomics,reference material,temperature control.,
Modified: 2024-02-22
Views: 0
SEDCORR: An Algorithm for Correcting Systematic Energy Deficits in the Atom Probe Mass Spectra
Data provided by National Institute of Standards and Technology
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.
Tags: atom probe microscopy,insulator,mass spectra,energy deficit correction,python,FFT,
Modified: 2024-02-22
Views: 0
pySCATMECH: A Python interface to the SCATMECH C++ library of polarized light scattering codes
Data provided by National Institute of Standards and Technology
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.
Tags: aerosol,bidirectional reflectance,BRDF,diffuse,gratings,Mie scattering,modeling,Mueller matrix,polarization,python,roughness,scatter,surface,
Modified: 2024-02-22
Views: 0
Optimal Bayesian Experimental Design Version 1.0.1
Data provided by National Institute of Standards and Technology
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.
Tags: GitHub pages template,experimental design,Bayesian,optbayesexpt,python,measurement,
Modified: 2024-02-22
Views: 0
Development of a Tool to Determine the Variability of Consensus Mass Spectra Supporting Data
Data provided by National Institute of Standards and Technology
Supporting datasets and algorithms (R-based) for the manuscript entitled "Development of a Tool to Determine the Variability of Consensus Mass Spectra", including an R Markdown script to reproduce the manuscript's figures.
Tags: mass spectrometry,uncertainty analysis,per- and polyfluoroalkyl substances,PFAS,reference mass spectrum,
Modified: 2024-02-22
Views: 0
SRM 3235 Soy Milk
Data provided by National Institute of Standards and Technology
SRM 3235 Soy Milk - This Standard Reference Material (SRM) is intended primarily for validation of methods for determining vitamins, elements, proximates, fatty acids, and amino acids in soy milk and similar materials. This SRM can also be used for quality assurance when assigning values to in-house reference materials. The SRM is a soy milk prepared by a commercial manufacturer. A unit of SRM 3235 consists of 10 ampoules, each containing approximately 10 mL of material. This data is public in the Certificate of Analysis for this material.
Tags: Standard Reference Material,SRM,SRM 3235,soy milk,soy,certified values,reference values,food,nutrition,dietary supplements,Food and Nutrition,
Modified: 2024-02-22
Views: 0
SRM 3252 Protein Drink Mix
Data provided by National Institute of Standards and Technology
SRM 3252 Protein Drink Mix - This Standard Reference Material (SRM) is intended primarily for validation of methods for determining proximates, fatty acids, cholesterol, vitamins, elements, and amino acids in protein drink mixes and similar materials. This SRM can also be used for quality assurance when assigning values to in-house reference materials. This data is public in the Certificate of Analysis for this material.
Tags: Standard Reference Material,SRM,SRM 3252,protein drink mix,certified values,reference values,food,nutrition,dietary supplements,Food and Nutrition,
Modified: 2024-02-22
Views: 0