• SIRIUS

  • Referenced in 4 articles [sw14027]
  • SIRIUS: Decomposing isotope patterns for metabolite identification. Motivation: High-resolution mass spectrometry (MS) is among ... mass and the natural distribution of its isotopes. Our input is a measured isotope pattern...
  • Decon2LS

  • Referenced in 3 articles [sw16610]
  • reading raw data, routine peak finding, theoretical isotope distribution modelling, and deisotoping. Because the source ... options that include peak processing, deisotoping, isotope composition, etc, Decon2LS supports processing of multiple...
  • ISOEFF98

  • Referenced in 2 articles [sw01351]
  • ISOEFF98. A program for studies of isotope effects using Hessian modifications. A new program ... calculations of isotope effects has been developed. It requires only force constants for substrate ... first of these allows studies of isotope effect changes upon weakening or strengthening of internal ... second feature allows fitting of the calculated isotope effects to the experimental value by scaling...
  • ImagingReso

  • Referenced in 2 articles [sw29555]
  • density, thickness in the neutron path, and isotopic ratios of the elemental composition ... time scale, and show/hide elemental and isotopic contributions in the total resonance signal. The energy...
  • CO5BOLD

  • Referenced in 3 articles [sw06136]
  • been applied to analyze the 6Li / 7Li isotopic ratio in metal-poor stars...
  • SULISO

  • Referenced in 1 article [sw20620]
  • Bath suite of vibrational characterization and isotope effect calculation software. Isotope effects are subtle ... calculation of vibrational frequencies and isotope effects. CAMVIB is a broad vibrational characterization code developed ... terms of internal coordinates. LIPFR calculates isotopic partition function ratios for pairs of isotopically substituted...
  • Ris3

  • Referenced in 1 article [sw16804]
  • Ris3: a program for relativistic isotope shift calculations. An atomic spectral line is characteristic ... spectrum. The line also depends on the isotope. The program ris3 (Relativistic Isotope Shift) calculates ... these electronic quantities with available nuclear data, isotope-dependent energy level shifts are determined...
  • BRTSim

  • Referenced in 2 articles [sw37291]
  • cells and exopolymers; (iii) biotic degradation and isotopic fractionation of nitrate; and (iv) dispersion...
  • PetroGraph

  • Referenced in 2 articles [sw38706]
  • evolution models based on trace element and isotopic data. Results and graphs can be exported...
  • GeoKit

  • Referenced in 2 articles [sw38711]
  • CIPW Normative Minerals and Petrochemical Parameters, PbSrNd Isotope Parameters and so on. The GeoKit...
  • CLM

  • Referenced in 2 articles [sw39321]
  • updated urban building energy, (7) carbon isotopes, and (8) updated stomatal physiology. New optional features...
  • NITPICK

  • Referenced in 2 articles [sw39674]
  • based peak PICKer that deconvolves complex overlapping isotope distributions in multicomponent mass spectra. NITPICK...
  • Isodesign

  • Referenced in 1 article [sw16410]
  • calculated from a set of isotopic data and the precision of flux values. We present ... parameters to be maximized by optimizing the isotopic composition of the label input...
  • IPPD

  • Referenced in 1 article [sw21123]
  • package IPPD: Isotopic peak pattern deconvolution for Protein Mass Spectrometry by template matching. The package ... provides functionality to extract isotopic peak patterns from raw mass spectra. This is done...
  • CAMERA

  • Referenced in 1 article [sw31650]
  • generated by xcms, rule based annotation of isotopes and adducts, isotope validation, EIC correlation based...
  • isoreader

  • Referenced in 1 article [sw38390]
  • package isoreader: Read Stable Isotope Data Files. Interface to the raw data file formats commonly ... scientific disciplines that make use of stable isotopes...
  • Isoplot

  • Referenced in 1 article [sw15495]
  • mathematical and graphical interpretation of radiogenic-isotope data, especially as applied to geochronology. Isoplot...
  • MixSIAR

  • Referenced in 1 article [sw15608]
  • models to analyze biotracer data (i.e. stable isotopes, fatty acids), which estimate the proportions...
  • IsoSpecR

  • Referenced in 1 article [sw16595]
  • compound given the frequencies of the composing isotopes and their masses. It finds the smallest...
  • BAMD

  • Referenced in 1 article [sw17319]
  • validate associations between SNPs and a carbon isotope discrimination phenotype that were previously reported using...