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Simulation of Signal-to-noise ratio of absorption spectrophotometry
Spreadsheet that computes the theoretical signal-to-noise ratio for a UV-visible absorption specrophotometer with a continuum source (e.g. tungsten incandescent lamp) modeled as a blackbody, dispersive monochromator, and a photomultiplier detector, given the molar absorptivity of the analyte and the solvent at the measured wavelength. Includes unabsorbed stray light, source flicker, photon, and thermionic emission noise.
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Most of those noises can be reduced
Simulation of Error propagation in analytical calibration methods
A set of spreadsheets that perform a Monte Carlo (e.g. random-number driven) simulation of the precision of analysis based on widely-used calibration methods. The simulations include additive and multiplicative interference (systematic errors) and random errors in signal and in volumetric measurements. Students observe how errors combine and attempt to optimize precision and accuracy of the measurement.
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random-number driven
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rs of the various parts of
the calculation are not correlated:
if they are correlated the calculations become even more complicated.
Correlation between terms is a factor in the prediction of error
propagation of the bracket and standard addition methods. - 3 more annotations...
Simulation of Effect of Slit Width on Signal-to-Noise Ratio in Absorption Spectroscopy
A spreadsheet that demonstrates the spectral distribution of the slit function, transmission, and measured light for a simulated dispersive absorption spectrophotometer with a continuum light source, adjustable wavelength, mechanical slit width, reciprocal linear dispersion, spectral bandpass, absorber spectral half-width, concentration, path length, and unabsorbed stray light. (Mouse-controlled sliders allow you to change the values quickly without typing). Computes the relative signal-to-noise ratio under photon-noise-limited and detector-noise-limited conditions.
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A smaller slit width, even if it is possible on that spectrometer, will
not be useful if the random signal-to-noise error exceeds that amount.
Documentation/How Tos/Calc: Statistical functions - OpenOffice.org Wiki
List of Calc Statistical functions
The Statistical functions allow statistical analysis of data.
Free spreadsheet software, templates, add-ins, support resources
This is a selection of spreadsheet resources - some free, some commercial - to do with Microsoft Excel, its clones, spreadsheet add-ins, and support for Excel developers and users. For a list of websites to do with spreadsheet development quality, financial and other modelling, see our spreadsheet links page and our Book list on Excel, Financial modeling, and related topics with links to Amazon.
Making graphs in Excel
Graphing spreadsheet
Linear least squares spreadsheet
Atomic absorption spreadsheet
Histogram and averaging spreadsheet
Titration spreadsheet (volts or pH)
Absorption titration spreadsheet
Calibration Curve spreadsheet
Standard Addition spreadsheet
Using Excel to Fit a Titration Curve
An Excel spreadsheet has been developed to help you fit a theoretical titration curve to the pH vs. volume data that you collection in your pH titration experiment. The spreadsheet will enable you to determine the end point(s) of the titration as well as the pKa(s) of your unknown acid. This document is quite long, so you may use the hyperlinks below to navigate if necessary.
Using Excel for Handling, Graphing, and Analyzing Scientific Data, by Scott Sinex
Some Excel Basics; Handing and Manipulating Data; Displaying an X-Y Data Set as a Scatter Plot; Plotting a Regression Equation; Interpolation and Extrapolation; Printing or Exporting Graphs; Downloading Data from the Internet; For the More Advanced Statistical Users; Using Interactive Excel Spreadsheets or Excelets; More Resources; An Example of a Printed Chart
PDF excerpt from "How to use Excel in Analytical Chemistry..."
Robert de Levie, How to use Excel in Analytical Chemistry and in General Scientific Data Analysis, Cambridge University Press; 1 edition (February 15, 2001), ISBN-10: 0521644844.
OpenOffice.org Calc FAQ - OpenOffice.org Wiki
# Formatting Spreadsheets
# Document management, file formats, compatibility
# Printing Spreadsheets
# Charts
# Error handling, error messages
# Miscellaneous questions
OpenOffice Calc Tips : Array Formulas: Working with Matrices
Array Formulas: Working with Matrices
An array is a linked range of cells on a spreadsheet containing values. A formula in which the individual values in a cell range are evaluated is referred to as an array formula. Not only can an array formula process several values, but it can also return several values. The results of an array formula is also an array. The OOoCalc functions that are introduced here are TRANSPOSE, MMULT, and MINVERSE.
OpenOffice Calc User Manual
Calc is the spreadsheet component of OpenOffice.org (OOo). You can enter data, usually numerical data, in a spreadsheet and then manipulate this data to produce certain results. Alternatively you can enter data and then use Calc in a "What If..." manner by changing some of the data and observing the results without having to retype the entire spreadsheet or sheet. A major advantage of electronic spreadsheets is that the data is easier to alter. If the correct functions and formulas have been used, the program will apply these changes automatically.
Simulation of Signal-to-Noise Ratio and Detection Limit of Fluorescence Spectroscopy
A spreadsheet that computes the theoretical signal-to-noise ratio for a fluorescence spectrometer with a continuum source (e.g. Xenon arc lamp) modeled as a blackbody, dispersive emission and excitation monochromators, and a photomultiplier detector, given the molar absorptivity and fluorescence quantum yield of the analyte at the excitation wavelength.
Some fraction of the light incident on the sample is absorbed (predicted by Beer's Law), and some fraction of that is re-emitted as fluorescence (predicted by the quantum efficiency) , a small portion of which is collected by the emission monochromator (predicted by the solid angle of the monochromator) and a narrow wavelength slice of this is sent to the detector (predicted by the spectral bandpass of the monochromator).
Simulation of Monoprotic Titration Curve
A model of the titration curve of a weak monoprotic acid titrated by a strong base. You can change the acid concentration, acid volume, base concentrations, and Ka of the acid by using the sliders.
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and Excel
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Download spreadsheet in Excel format (.xls)
Triprotic Titration Data Analysis and Simulation
A model of the titration curve of a weak triprotic acid titrated by a strong base. By using the sliders. you can change the acid concentration, acid volume, base concentrations, and the three acid constants of the acid (K1a, K2a, and K3a). There is also an alternative version ("TriproticTitrationData"), similar to above except that it has a space to type in some experimental titration data (volume and pH). The spreadsheet plots the experimental data on the same plot (as blue dots). The sliders can then be adjusted until the theoretical curve (red line) can be made to match the data (blue dots).
Simulation of Chromatography Modeled as a Discrete Equilibrium Process
Spreadsheet simulation that shows how chromatography can be modeled as a large number of discrete equilibrium steps, each one a simple partitioning between mobile and stationary stages, similar to a series of solvent extraction operations. Graphically shows how Gaussian bands evolve naturally as a result of a large numbre of discrete stages.
Simulation of Resolution of Capillary Chromatography
A spreadsheet simulation that shows how a difference between the distribution coefficient of two components can lead to separation in capillary gas chromatography. Students select column length, column internal diameter, thickness of stationary phase, diffusion coefficient in mobile phase, viscosity of carrier gas, flow rate, ambient temperature, and column temperature. The simulation calculates the phase ratio, capacity factor, selectivity, linear velocity of carrier, retention time of unretained peak, retention time of the two components, plate height, efficiency (plate count), peak base width, and resolution. Displays plot of simulated chromatogram showing two component peaks and an unretained peak.
Simulation of Calcium Ion Selective Electrode
Simulation of the standard addition method for calcium determination by ion-selective electrode. The simulation demonstrates the ability of the standard addition method to correct for an unknown reference potential and unknown ionic strength of the solution (and thus activity coefficient). It includes two sources of error: the effect of the addition of standard on the ionic strength and activity of calcium, and effect of voltage reading error.
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standard addition equation
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Nernst factor
Spectroscopic Simulation of Atomic Absorption
This is a spreadsheet simulation of the spectroscopy of a line-source atomic absorption (AA) measurement. It is not a simulation of an AA instrument. What's the difference? An instrument simulation shows you how to work an AA instrument. This simulation shows you how AA spectroscopy works, that is, what goes on under the instrument's surface. The purpose of the simulation is to make it clearer how the various spectroscopic aspects relate to each other and to the measured absorbance, in a line-source atomic absorption measurement with continuum-source background correction in a steady-state (i.e. flame) atomizer. You can observe the spectral relationship of the hollow cathode lamp emission profile to the atomic absorption profile, observe the effect of different spectral line widths of both the absorbing atom and the hollow cathode lamp, correction of background absorption by continuum-source (D2) method, overcorrection caused by structured background absorption, and the effect of non-absorbing lines, line-overlap interferences, and hyperfine structure.
Simulation of Line Wing Overlap
Speardsheet to demonstrate graphically how the Lorentzian line wings of an intense matrix line can cause a background spectral interference even if the analyte line is many line-widths away from the interfering matrix line.
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