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Chemistry LibreTexts

2.6: Spreadsheets and Computational Software

Analytical chemistry is an inherently quantitative discipline. Whether you are completing a statistical analysis, trying to optimize experimental conditions, or exploring how a change in pH affects a compound’s solubility, the ability to work with complex mathematical equations is essential. Spreadsheets, such as Microsoft Excel can be an important tool for analyzing your data and for preparing graphs of your results. Scattered throughout the text you will find instructions for using spreadsheets.

Note

If you do not have access to Microsoft Excel or another commercial spreadsheet package, you might considering using Calc, a freely available open-source spreadsheet that is part of the OpenOffice.org software package at www.openoffice.org.

Although spreadsheets are useful, they are not always well suited for working with scientific data. If you plan to pursue a career in chemistry you may wish to familiarize yourself with a more sophisticated computational software package, such as the freely available open-source program that goes by the name R, or commercial programs such as Mathematica and Matlab. You will find instructions for using R scattered throughout the text.

Note

You can download the current version of R from www.r-project.org. Click on the link for Download: CRAN and find a local mirror site. Click on the link for the mirror site and then use the link for Linux, MacOS X, or Windows under the heading “Download and Install R.”

Despite the power of spreadsheets and computational programs, don’t forget that the most important software is that behind your eyes and between your ears. The ability to think intuitively about chemistry is a critically important skill. In many cases you will find it possible to determine if an analytical method is feasible, or to approximate the optimum conditions for an analytical method without resorting to complex calculations. Why spend time developing a complex spreadsheet or writing software code when a “back-of-the-envelope” estimate will do the trick? Once you know the general solution to your problem, you can spend time using spreadsheets and computational programs to work out the specifics. Throughout the text we will introduce tools for developing your ability to think intuitively.