iPeak: Interactive Peak Detector (Version 5.3) by Tom O'Haver

Keypress operated interactive peak detector function. (peak detection, analytical chemistry, instrumental analysis)

P=findpeaks(x,y,SlopeThreshold,AmpThreshold,smoothwidth,pea...

P=findpeaksnr(x,y,SlopeThreshold,AmpThreshold,smoothwidth,p...

P=findpeaksplot(x,y,SlopeThreshold,AmpThreshold,smoothwidth...

partial least squares-discriminant analysis and variable selection for high dimensional data by Hongdong Li

chemometrics, metabolomics, model population analysis, variable selection (chemometrics, variable selection, model population anal...)

C=ldapinv(X,y,flag);

CV=plsldacv(X,y,A,K,method,OPT,order)

CV=plsldamccv(X,y,A,method,N,ratio,OPT)

Toolbox: partial least squares and CARS for variable selection by Hongdong Li

PLS regression, cross validation, variable selection for PLS (pls, monte carlo, chemistry)

CV=oscplscv(X,y,A,K,method,nosc)

CV=plscvfold(X,y,A,K,method,PROCESS,order)

CV=plsmccv(X,y,A,method,N,ratio,OPT)

Four parameters logistic regression - There and back again by Giuseppe Cardillo

Fit data points with a four points logistic regression or interpolate data. (statistics, chemistry, pharmaceutical)

L4Pinv(cf,y)

[cf G]=L4P(x,y,varargin)

Polar Onion Peeling by natan

Apply polar onion peeling method for analyzing velocity map imaging (VMI) data. (onion peeling, physics, chemistry)

s=POP(im,RT)

iSignal 2.7 by Tom O'Haver

Interactive smoothing, differentiation, peak sharpening and measurement of time-series signals. (signal processing, data import, chemistry)

pY=isignal(DataMatrix,xcenter,xrange,sm,sw,em,dm,rm,s1,s2,s...

Buckinghams Pi-Theorem in MATLAB by Thomas Tresch

Calculation of the dimensionless quantities (pi-groups) for given dimensional variables (pitheorem, dimensional analysis, physics)

PI_Groups_Calculation.m

Interactive Peak Fitter (Version 9.2) by Tom O'Haver

Keyboard operated peak fitting function for time-series signals. (chemistry, curve fitting, peak fitting)

ipf(arg1,arg2,arg3,arg4)

Langmuir probe data analysis code by aasim Azooz

four parameters fitting of Langmuir I-V probe data (chemistry, physics, plasma)

[Ne,Ni,Vp,Vf,Te,E,f]=Analyze_Langmuir(V,I,Area,Mass)

f=Dry(a,x)

f=langmuir(a,x);

Spectr-O-Matic by Petar Lambrev

Toolbox for analysis of spectroscopic data. Version 1.06 (spectroscopy, data analysis, spectrometry)

[maxtab, mintab]=peakdet(v, delta, x)

gaussians(par, X)

getdir(filter)

Peak Fitter by Tom O'Haver

Command-line peak fitter for time-series signals. Version 3.6: February, 2013. (statistics, signal processing, decomposition)

[FitResults,LowestError,BestStart,xi,yi,BootResults]=peakfi...

Background correction by Vincent Mazet

Compute an estimation of the background (aka baseline) in chemical spectra. (signal processing, chemistry, gui)

backcor(n,y,ord,s,fct)

demo.m

OSCAR by Jerome Degallaix

An optical FFT code to simulate Fabry Perot cavities with arbitrary mirror profiles (fft, optical simulation, chemistry)

HermitePolynomial(n, x)

LGcoefficient(mat, p, l, lambda, w, curv, gridsize)

LaguerrePolynomial(p, l, x)

Final by Asif

A final exam Problem in one of the courses (chemistry)

asif

spontaneity.m by Nanda Ramanujam

Determine the temperatures at which a chemical reaction is spontaneous. (chemistry)

spontaneity.m

specificheat.m by Nanda Ramanujam

Analyze changes in specific heat in copper and water. (chemistry)

specificheat.m

MIMO-Diofantine solver by davood shaghaghi

This function solve MIMO-Diofantine equation. (control design, optimization, simulation)

mimodioph(A,B,N)

Peak finding and measurement by Tom O'Haver

Function to locate and measure the positive peaks and valleys in noisy data sets. (peak detection, analytical chemistry, chemistry)

AmpTSlider(n,h)

BGSlider(n,h)

FitSlider(n,h)

reactionenthalpies.html by Nanda Ramanujam

Determine the change in enthalpy of a reaction (chemistry)

VSEPR.m by Nanda Ramanujam

Determine the geometry of a covalent compound. (chemistry)

VSEPR.m

Henry's Law Constant Calculator by Nate

Calculates Henry's constant for common gases (henrys constant, constant, chemical engineering)

henrys(gasname,gastemp)

electronconfiguration.html by Nanda Ramanujam

Determine electron configurations for elements (chemistry)

Empirical formula by Jonathan Karr

Class for representing empirical formulae including support for basic math (+, -, *, etc.) (empirical formula, element, chemistry)

edu.stanford.covert.util.EmpiricalFormula

combustionanalyses.m by Nanda Ramanujam

Analyze a combustion reaction. (chemistry)

combustionanalyses.m

nuclidicmasses.html by Nanda Ramanujam

Find the average atomic mass of hypochlorous acid. (chemistry)

rydbergequation.m by Nanda Ramanujam

Analyze changes in certain characteristics of light energy as an electron moves from an energy level (chemistry)

Rydbergequation.m

quantumnumbers.m by Nanda Ramanujam

Determine an allowed set of 4 quantum numbers for an electron. (chemistry)

quantumnumbers.m

periodictrends.m by Nanda Ramanujam

Explain certain periodic trends. (chemistry)

periodictrends.m

percentyield.m by Nanda Ramanujam

Calculate the percent yield of a reaction (chemistry)

percentyield.m

DataSet Object by Scott Koch

The DataSet object (DSO) is a Matlab object created to hold both data and metadata. (statistics, chemistry, data import)

dataset(varargin)

datasetdemo.m

VASPLAB by Max Radin

Functions for integrating data from the Vienna Ab initio Simulation Package (VASP) into MATLAB. (chemistry, physics, vasp)

atomic_radius( Z )

chemsym2number( symbol )

export_df3( filename, chg )

Medium Model by Mark Selby

Thermodynamic Fluid Properties (thermodynamics, chemistry, fluid properties)

MediumModel

solving Diofantine equation by davood shaghaghi

This function is written to solve Diofantine equation.this equation should be in the form of C = A*F (control design, optimization, simulation)

david_dioph(A,C,n)

Method for quantitative absorption spectroscopy, version 2.1 by Tom O'Haver

A computational method for quantitative analysis by multiwavelength absorption spectroscopy (chemistry, analytical, absorption spectrosco...)

CalculateTfit(x,y,InstFunction,width,absorbance,InstWidth,s...

TFit3A1(n,h)

TFit3A2(n,h)

GUI 2D HEAT TRANSFER by Dominik Gibala

This GUI presents 2D heat tranfer in a plate. (gui, mathematics, simulation)

GUI 2D HEAT TRANSFER

GUI_2D_prestuptepla(varargin)

Five parameters logistic regression - There and back again by Giuseppe Cardillo

Fit data points with a five points logistic regression or interpolate data. (statistics, chemistry, pharmaceutical)

L5Pinv(cf,y)

[cf G]=L5P(x,y,varargin)

Three parameters logistic regression - There and back again by Giuseppe Cardillo

Fit data points with a three points logistic regression or interpolate data. (statistics, chemistry, pharmaceutical)

L3Pinv(cf,y)

[cf G]=L3P(x,y,varargin)

Calculate Full width at half maximum (FWHM) of a peak by Ebo

Calculate Full width at half maximum (FWHM) of a peak. (fwhm, statistics, mathematics)

fwhm.m

All moments by Katie

Computes the 0th, 1st and 2nd moments of a single spectrum or an entire set of spectra (chemistry, physics, image processing)

[output]=allmom(x,b,lim1,lim2)

MolekuLab 1.0 - Open Source MatLab GUI by Csaba Peterfalvi

MolekuLab is a MatLab GUI to build and manipulate molecular structures atom by atom. (atom, molecule, nanostructure)

MolekuLab(varargin)

Methane Solubility by William Waite

Calculates the solubility of methane in water. (earth science, chemistry, gas hydrate)

MethaneSolubility.m

Integer partition generator by David Holdaway

Generates a table of all integer partitions of integers from 0 to N. (mathematics, physics, statistics)

integerparttable(nfinal )

intpartgen(N,maxnum,intlist)

intpartgen2(N,maxnum,intlist,allowednumrange)

Hermite polynomials by Paul Fricker

Hermite polynomials of order N. (mathematics, physics, chemistry)

hermite(n,x,nflag)

Gillespie Stochastic Simulation Algorithm by Nezar

Simulate discrete stochastic models of chemical reaction networks. (simulation, modeling, chemistry)

directMethod( stoich_matrix, propensity_fcn, tspan, x0,...

example

firstReactionMethod( stoich_matrix, propensity_fcn, tspan, ...

Rankine Cycle Analysis with MATLAB by Gokberk Kabacaoglu

It anaylse Rankine Cycle with making Schematic Drawing and T-S plot and Comparing Numerical Results. (control design, data import, measurement)

RankineDrawing

Schematic_View

XSteam.m

Sutton-Chen potential by Enrique Guevara

Calculate the Sutton-Chen potential for any amount of atoms (suttonchen, chemistry, physics)

suttonchen.m

Derivative (force) of potential Sutton-Chen by Enrique Guevara

Calulate the derivative of potential Sutton-Chen, for any number of atoms (simulation, physics, chemistry)

derivada_suttonchen.m

Kinetic Order Determination by Steven Edmund

Determine the reaction order of a chemical reaction of the form: rate = Ao*[A]^a*[B]^b*exp(-Ea/R*T) (modeling, chemistry, chemical kinetics)

kinfit.m

IAPWS_IF97 functional form with no slip by Mark Mikofski

Water and steam properties and derivatives based on the IAPWS IF97. Functional form. No slip. (control design, simulation, chemistry)

IAPWS_IF97(fun,in1,in2)

Armitage's trend test by Mohammed Sadeq Al-Rawi

Armitage's trend test on genotype distribution of marker(s). (armitages trend test, gwas, association with a tr...)

armitage_trend_test(G)