Chemistry 260

Syllabus for Chemistry 351

Instructor: David Harvey
Office: Julian 323
Phone: 658-4608 (office)
Phone: 653-2685 (home)
E-Mail: harvey@depauw.edu

Class Meetings: MF from 2:00-2:55 in Julian 340

Quick Links: Course Goals, Course Materials, Computers, Course Format, Assignments,Course I-Drive, Grading, Policy on Late Work, Policy on Attendance, Office Hours, Academic Dishonesty

Click here for a printable copy of the syllabus.

Course Goals. Chem 351 provides an introduction to the field of chemometrics.  As with any area of chemistry, the field of chemometrics is far too broad to cover in a single semester. Our goals, therefore, are modest; specifically, we will learn to:

  • characterize data using descriptive statistics
  • use basic statistical tools, such as significance tests and the analysis of variance
  • build mathematical models of response surfaces
  • enhancing the quality of analytical signals
  • extend a calibration in a single variable to a calibration using multiple variables explore methods for finding patterns in data

In addition to these discipline-specific goals, we have several broader goals; these are:

  • understand the importance of well-planned experiments and good data
  • appreciate the rich amount of information hidden within data
  • become familiar with a software package for processing and analyzing data
  • become familiar with the chemical literature

Course Materials. There is no perfect textbook for this course.  Most textbooks specializing in chemometrics are either too specific (covering one topic at great depth) or are too comprehensive (the single best textbook, for example, includes 1580 pages in two volumes); many textbooks also assume a more extensive background in mathematics than required for this course.  In addition, because these texts are published in small numbers, they are too expensive.  As a compromise, the textbook Modern Analytical Chemistry serves as a resource for this course and for all other analytical chemistry courses at DePauw.  It is available at Fine Print Bookstore in downtown Greencastle and a copy also is on reserve in the Prevo Science Library.  Because we will not use this textbook for all topics, it is listed as an optional text.  Other resources will be made available to you in the form of links to web-based materials and handouts.

Computers. You will need routine access to a laptop computer that you can bring to class as needed; either a PC or a Mac is acceptable.  The software program R is available for Windows, OS X and Linux operating systems.  Instructions for obtaining the program are on the course’s web site.  If your computer does not have wireless access, then you will need to download data sets prior to class.

Course Format. In general, the format of the course follows a simple pattern.  We will introduce each new chemometric technique by focusing on its basic mathematical theory, using a simple data set to work through the calculations.  You will then complete a short problem set, usually consisting of one or two problems, which is due at the beginning of the next class meeting.  The purpose of a short problem set is to help you appreciate and understand the relevant calculations using a problem whose solution is amenable using just a pencil and calculator. 

Any data set of real interest is far too large for a calculation by hand to be practical;   thus, chemometric problems are solved using one of the many available freeware, shareware or commercial chemometric or statistical software packages.  After solving a chemometric problem by hand, we will learn how to solve the same problem using the software package R.  Long problem sets will give you the opportunity to work with more realistic data sets.

Assignments. During the semester you will complete both short and long problem sets.  The emphasis for the short problem sets is on correctly completing the necessary computations.  For longer problem sets, the emphasis is on both the appropriateness of your chemometric computations and the insightfulness of your analysis of the results.

In addition to the short and long problem sets, you also will prepare several summaries of papers from the chemical literature in which a chemometric technique plays a prominent role.  Finally, there will be a mid-term exam and a final exam.

Course I-Drive. There is a folder for Chem 351 on the university’s I-drive, which will be used to share data sets.  Feel free to use your personal folder as a place to store data sets the results of your computational analyses, as well as for other course work such as the literature summaries.

Grading. Final grades are determined using the following percentages: short problem sets (10%), long problem sets (40%), literature summaries (10%), midterm exam (20%) and final exam (20%).  Grades are assigned using the following scale:

Grading Scale
A 100 to 93
B+ 89 to 87
C+ 79 to 77
D+ 69 to 67
F 59 and below
A- 92 to 90
B 86 to 83
C 76 to 73
D 66 to 63
B- 82 to 80
C- 72 to 70
D- 62 to 60

Final averages are not rounded; to earn a grade of B, for example, your final average must be ≥83.0… and < 86.0… At the instructor's discretion, grades on a borderline may be moved up or down by a maximum of 1 point to account for intangible factors; thus, for example, a 79.7 (C+) may become an 80.7 (B-), or an 83.7 (B) may become an 82.7 (B-). Intangible factors that may affect your grade include, but are not limited to, a particularly strong or weak final exam, a steady improvement or decline in performance during the term or a particularly strong or weak contribution to the class.

Policy on Late Work.  Due dates are intended to keep you from falling behind in your work.  Because I value thoughtful, well-written work more than absolute deadlines, these due dates usually are intentionally flexible.  Unless otherwise specified, there is no penalty for turning work in late if I am still in the process of grading the assignment; however, once I finish grading a set of assignments, any missing work receives a grade of zero – no exceptions.  Flexibility in due dates is not a license to procrastinate and abuse of this policy will result in your loss of this privilege.  To take advantage of this policy you must consult with me before the assignment is due and show evidence of having made significant progress.  Please note that the due dates for short assignments are absolute; late assignments will not be accepted as we will be reviewing the assignment during class.

Policy on Attendance. Although I do not require attendance during class meetings, I encourage you to take advantage of class time as an opportunity to engage yourself more fully with the material.  If you need to miss class for legitimate reasons, or if you simply do not feel like coming, it is your responsibility to know and understand what was covered: ask a classmate for a copy of his or her notes, drop by my office or visit the course’s web site.  We cannot take class time to review material for students who were unable to attend class.

Office Hours.I do not post office hours. Instead, my office door is usually open and you are encouraged to stop by whenever you have free time; good times to find me are 8-11 MWF and all day T.  If you are uncomfortable just dropping by, or wish to ensure that I will be available, feel free to schedule an appointment; my contact information is at the beginning of the syllabus.  My home phone number is listed at the beginning of the syllabus should you need to reach me in the evenings (before 10 PM) or on the weekends.

Academic Dishonesty. Although you may make frequent use of external resources (e.g. the internet, the library, other students) when working on short and long problem sets, it is important that the work you submit represents your understanding of the assignment.  Be particularly careful when using software to solve problems.  You may discuss with others how to accomplish a particular task using a spreadsheet or R, or how to write appropriate code for R.  The work you turn in, however, must be yours.  It is not acceptable to borrow spreadsheets or snippets of code from other students (nor is it acceptable to provide them to other students). 

Be sure to review DePauw’s guidelines for academic integrity, which are included in the Student Handbook and to consult with your instructor if you are unsure about any issue concerning academic integrity.

last modified on January 14, 2007
send comments to David Harvey (harvey@depauw.edu)