Multivariate Analysis

by

Pittcon Conference + Exposition 2026

Pittcon 2026Speed Dating Chemometrics and Machine Learning

Tuesday, March 10, 2026 1:30 – 3:00 PM · (America/Chicago), Room 006B

San Antonio, TX | Henry B. González Convention Ctr

Details and registration for the session on Speed Dating Chemometrics and Machine Learning, presented by Brian Rohrback, can be found here or you can contact info@infometrix.com for more information.

Abstract
There is a lot of confusion on what constitutes best practices in the application of multivariate statistics to laboratory, process, and field analytics. The terminology in use does not always clarify and most of the time a technique touted in the literature is not compared to any other technology that could be applied to the same problem. The focus here is to refresh the basics of the field of multivariate analysis and data visualization plus how the history of the field now ties to machine learning. The course illustrates the principles of chemometrics as they apply to routine product quality maintenance, primarily on the most common use of the algorithms in organizing the information flow from sensors, spectrometers, and chromatographs.
An introduction to data visualization and exploratory data analysis techniques such as principal component analysis (PCA) and hierarchical cluster analysis (HCA) will be covered along with the practical basis for their use. A wide variety of examples will be shown ranging from laboratory analysis, in-line and on-line process monitoring, and field applications. The course covers the thought process that helps organize and complete the implementation of an application-specific evaluation system.
These topics are designed to cover the best practices of chemometrics technology and will prepare participants for tackling a vast array of problems. This course is useful for any scientist concerned with optimizing their analytical methods to get the most out of either laboratory or process operations.
by

Unlock Data. Discover Systems. Save Big

IMAGE '25 MeetingVenue: George R. Brown Convention Center, Houston, TX

Date: August 24, 2025

Short Course:  SC-01: Chemometric Tools to Establish Petroleum Systems, Predict Physical Properties, and De-Convolute Mixed Production

Special Software Discount for SC-01 Attendees

Join Infometrix at IMAGE 2025 and discover how multivariate data analysis is transforming petroleum geoscience.

Dr. Kenneth Peters from LSB NExT Training and Brian Rohrback from Infometrix will be leading the short course Sunday, August 24th at the George R. Brown Convention Center.

This one-day course demonstrates how chemometric techniques, using real-world datasets, can enhance interpretation of geochemical, petrophysical, and production data – all powered by Infometrix Pirouette® software.

Exclusive Offer:
Register for SC-01 and receive a discount on Infometrix software license, optimized for the workflows presented in the course.

Expand your skillset. Enhance your toolkit. 
Learn from experienced instructors and leave with the power of advanced analytics at your fingertips.

Register today and claim your software discount.


Infometrix: Turning complex data into confident decisions.

 

by

Bruce R. Kowalski: The Maverick Mind Behind Chemometrics

Bruce R. Kowalski: The Maverick Mind Behind Chemometrics

In this Icons of Spectroscopy article, we take a look at the life and impact of Bruce Kowalski (1942-2012), a pioneering analytical chemist, who played a big role in developing chemometrics—the use of math to make sense of complex chemical data—and his work in data analysis, teaching, and software that has had a lasting influence on both academic and industrial chemistry.

Bruce R. Kowalski, also the co-founder of Infometrix, was a pioneer of chemometrics, known for advancing multivariate statistics and data analysis in chemistry. This article honors his legacy, from shaping chemometric theory and education to co-founding the Journal of Chemometrics. His global impact endures through mentorship, software tools, and leadership in analytical chemistry.

https://www.spectroscopyonline.com/view/bruce-r-kowalski-the-maverick-mind-behind-chemometrics

by

IMAGE ’25 – International Meeting for Applied Geoscience & Energy

IMAGE '25 MeetingVenue: George R. Brown Convention Center, Houston, TX

Date: August 24-28, 2025

Short Course:  SC-01: Chemometric Tools to Establish Petroleum Systems, Predict Physical Properties, and De-Convolute Mixed Production

Course Leaders: Dr. Kenneth Peters from LSB NExT Training and Brian Rohrback from Infometrix will be leading the short course on August 24th.

This one-day course is for all geoscientists who want to extract hidden information from substantial amounts of chemical and physical data using multivariate statistical (chemometric) tools. The course emphasizes applications rather than the mathematics of various chemometric methods and will include a demo version of Pirouette 5.0 chemometric software. Case studies focus on the following topics of immediate interest to geoscientists:

• Hierarchical cluster analysis (HCA) and principal component analysis (PCA) of biomarker and stable isotope data for oil-oil and oil-source rock correlation to establish petroleum systems.
• Quantitative regression analysis of chromatographic peaks by alternate least squares (ALS) to de-convolute mixed oils derived from two or more sources. In exploration, ALS identifies mixed oils (e.g., pre-salt and post-salt oils in the Middle East and Southern Atlantic). In production, ALS allows allocation of mixtures originating from multiple reservoir zones.
• Prediction of physical properties by partial least squares (PLS) of data obtained by micro-analytical techniques. PLS allows investigators to predict API gravity, sulfur, and viscosity for reservoir zones where only small samples of cuttings from storage are available for analysis.

For questions or more information, contact info@infometrix.com.

by

IFPAC 2025 – The History of Chemometrics in Routine Chromatographic Analysis

The History of Chemometrics in Routine Chromatographic Analysis
Date: Monday, March 3, 2025 at 9 AM EST
Venue:  Bethesda, MD (Washington, D.C.)
website: www.ifpacglobal.org

Don’t miss Brian Rohrback’s presentation on The History of Chemometrics in Routine Chromatographic Analysis.

 

Topic:
Advanced Separations: FastGC, HPLC & Data Systems

Abstract:

There is a rich history of the use of chemometrics both for signal processing and for pattern recognition analysis that dates back a half century now.  The first documented commercial implementations began in the early 1980s, predating the use of “personal” computers.  In considering use for routine quality measurements, the technology divides between signal processing (alignment, curve resolution) and automated interpretation (classification, quantitation, mixture analysis).  The use of standard chemometrics technology vastly reduces the time required to process chromatographic data in a quality control environment and it enables unsupervised chromatographic analysis and interpretation.