Spring 2022 Introductory Chemometrics CHEM312 001 (Owens) Syllabus

Instructor: Pat Owens (owensp@winthrop.edu) Phone: three two three four nine two five


Zoom Office Hours: To meet student needs, Zoom office hours will be open continuously throughout the week with no fixed times. Please email me, owensp@winthrop.edu to set up a Zoom session, preferably at least 12 hours ahead of time.

·      Zoom information:

o   https://us02web.zoom.us/j/88483654667?pwd=WCs1YlRDVjZ3M2hNOWdTaXY3RU93UT09

o   Meeting ID: 884 8365 4667

o   Passcode: 3iCnUF

Required Course Texts: None, this website is a useful reference: https://docs.tibco.com/data-science/textbook

Course Outline: This is a short course in Introductory Chemometrics, the application of mathematical and statistical techniques for the analysis of chemical data sets. With the tremendous increase in data collection and processing capabilities, the rate of data generation using modern analytical instruments can be overwhelming. Chemometrics rescues us from the situation in which we are drowning in information but starving for knowledge.

The goal of many chemometric techniques is to use measurements to produce a model for any one of a nearly infinite number of possibilities to include defining a complex system, predicting properties, optimizing a signal, designing an experiment, immediately assessing the quality of a product from an industrial process or proving an important hypothesis. Most research projects require the understanding and judicious use of statistical and mathematical tools we will be learning in this course. While technologies that generate data will continue to evolve, the mathematical and statistical tools available will continue to remain "current." Understanding and using these is an increasingly important part of a science education.

These mathematical and statistical tools are useful for a broad range of applications, particularly those that involve working with large data sets. Applications include solving problems such as apportioning the hydrocarbon air pollutants in a region to specific sources, controlling a major industrial chemical process, evaluating the impurities present in a pharmaceutical product, and determining the amount of moisture in wheat from a satellite. One can even apply these tools to determine the most powerful counting system to use in the game of 21!!

The course begins with a block on the design of calibration experiments that includes the three primary types of models used for analyte quantification: calibration, internal standard and standard addition. This block includes an introduction to sum of squares parameters, design matrices, and multivariable mathematical models of experimental data. This is followed by an examination of descriptive and inferential statistics, followed by a block on quality assurance in analytical chemistry. The last several lessons will focus on important applications such as multivariable environmental models and Quantitative Structure-Activity Relationships.

Computer Expertise: This course will require students to demonstrate a capability to rapidly analyze data sets to address particular questions using Excel. Tests and final exams will be primarily performance based, time-limited, assessments.

Schedule: There will be one on-line lecture video with lecture notes each week.  The course weekly schedule provides the specific topics being covered. All course information is posted on Winthrop Blackboard system.

Class Preparation: Homework assignments from the previous lesson are to be turned in the following week as noted in the syllabus. You are responsible for all assigned material and for all material discussed in lecture. Problem sets are to be done individually with no assistance from others nor the instructor. Learning comes from active personal engagement with problems exercising the concepts covered in lectures.

Graded Exercises

·       There will be one problem set for nearly every lecture. Each problem set requires individual work and will be worth 20-30 points. It is the student’s responsible to work through the problem sets individually since learning comes from active engagement with the content covered in lectures.

·       The calibration quiz will be worth 75 points.

·       The final will be cumulative and worth 150 points. The final will be a performance-based, time-limited, data analysis exam to demonstrate proficiency and understanding of material covered throughout the course.

Grades: Percentages will be calculated based upon total earned points divided by total points tested. You must score better than 50% on the final exam to pass the course. You must score an A on the final exam to earn an A in the course. The following grade range will be used: A = 93-100%; A- = 88-92%; B+ = 85-87%; B = 80-85%; B- = 76-79%; C+ = 72-75%; C = 66-71%; D = 56-66%; F = <66%

Attendance: You are expected to turn in 100% of assignments by the posted deadline.

Students with Disabilities: Winthrop University is committed to providing accessible learning experiences and equal access to education for all students. The syllabus is available in alternate formats upon request. If you are a student with a disability (including mental health concerns, chronic or temporary medical conditions, learning disabilities, etc.) and you anticipate or experience academic barriers due to the condition, please contact The Office of Accessibility (OA) for information on accommodations, registration, and procedures. After receiving approval for accommodations through OA, please make arrangements with me as soon as possible to discuss your accommodations so that they may be implemented in a timely manner.
OA contact information: accessibility@winthrop.edu; 803-323-3290; 307 Bancroft Hall Annex.




Student Conduct Code:

On-Line Learning:  Any student enrolled in courses at Winthrop regardless of modality (traditional in-person, online, hybrid, ...) is entitled access to all campus resources. These resources include, but are not limited to, admissions counseling, recreational facilities, and health, library, and academic services. Questions regarding access to these resources should be directed to the assigned academic advisor.

COVID-19 Statement:  During this pandemic period each student is expected to act in the best interest of the WU community by behaving responsibly to limit the spread of the COVID-19 virus. All students, faculty, and staff must wear masks inside buildings and classrooms, unless alone in a private office. All members of the campus community must follow campus guidance on masking. Please do not attend class if you have fever or any signs of the COVID virus; do not attend class if your roommate or someone you have close contact with acquires the virus and be respectful of others’ desire to remain COVID-free. Students who violate WU guidelines will be asked to comply. Continued failure to comply may result in referral to the Dean of Students Office as a student conduct violation.

COVID-Related Absence: Students should contact Health Services regarding a positive test, close contact, or enhanced COVID-like symptoms. Any student who has either tested positive, has COVID-like symptoms, or has close contact with someone who has COVID, must contact Health Services. Students should log in to the Patient Portal to schedule a TELEPHONE TRIAGE Appointment w/ COVID as the reason and upload the positive test result if applicable. Health Services will communicate with the student on what steps to take next, and if need be, the Dean of Students Office will get absence verification for required isolation and quarantine. Students who verify their absences through the Dean of Students Office often minimize any academic impact caused by missed class time. Health Services will only provide dates of absence, not medical information. Please note, residential students who test positive or are a close contact are expected to follow their personal COVID Quarantine and Isolation Plan.



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