SIMCA® 17 Improves Spectroscopy Modeling for PAT and Supports Data-Driven Decision-Making

The latest version of SIMCA® Multivariate Data Analysis software – SIMCA 17 – embraces the growing importance of spectroscopy in pharmaceutical quality control by integrating spectral analysis and process modeling in one efficient solution that puts data-driven decision making at your fingertips.

This article is posted on our Science Snippets Blog.

SIMCA 17 multivariate software integrates spectroscopy analysis with process modeling in one solution that supports PAT implementation.

SIMCA 17 makes it easier and faster to implement process analytical technology (PAT) approaches based on spectral data, whether from Raman, NIR, IR or other methods, and gain accurate predictions of critical quality attributes (CQAs).  The robust set of PAT-enabled spectroscopy features includes essential spectra visualization methods, a library of important preprocessing algorithms and a calibration wizard that makes it easy to compare models.

Other significant enhancements in SIMCA17 include performance improvements for plot interactivity functionality, automated download of included SIM-APIs, a multivariate calibration wizard, preprocessing algorithms, and backwards compatibility with SIMCA 16.

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Sartorius has been listening to customers and made a number of improvements across the software to make functionality faster, more intuitive and easier to use.
The combination of functionality designed for effective analysis both of process data and spectroscopy data creates a robust, integrated tool for PAT implementation especially suited to highly regulated environments.

Faster PAT Implementation for Spectral Data

SIMCA 17 puts all the relevant spectroscopy analysis information in one place so you have a more efficient workflow when viewing spectral and other kinds of data. With spectroscopy features integrated into context-based ribbons, you gain direct access to all the tools you need for analyzing and turning your spectrometry readings into valuable information. 

When you load or open spectroscopy data, SIMCA will automatically bring forward the relevant options for review and suggest relevant analysis approaches for the type of data you’re viewing. This ensures you focus on the visualizations that are important when identifying critical quality attributes and gives you interactive options for digging deeper into any process deviations. 

Building your multivariate models (including batch models) in the same tool that does your spectral analysis is efficient and helps support PAT implementation. The seamless chain of model building that SIMCA supports also helps with regulatory demands. SIMCA is GMP compliant and the audit trail function in SIMCA meets with compliance rules for keeping electronic records (21 CFR Part 11). 

Preprocessing Spectral Data Efficiently

SIMCA 17 provides a complete solution for preprocessing of your spectral data to enhance critical quality attribute (CQA) predictions. The calibration wizard in SIMCA 17 combines preprocessing and model building in an effective workflow that supports robust multivariate analysis. The wizard makes it easy to select the best prediction models with a few clicks by viewing several alternatives side-by-side after applying relevant pretreatment alternatives.

SIMCA 17 also offers an extended library of spectral preprocessing algorithms, which lets you remove anomalies and enhance spectral features to ensure the best possible calibration and classification models. You can select from common spectral preprocessing methods such as baseline corrections and peak normalization using an intuitive graphical wizard interface.

SIMCA also has flexibility built in.  If the calculation or view you need isn’t included in the library of preprocessing algorithms, you can easily add a custom filter using a simple tool provided. For example, if you wanted a calculation that multiples all the values by two, you can set up a function to do this with a single button click.

Intuitive and Fast, Interactive Visualization of Data

With SIMCA, you can create powerful visualization modules that help you make sense of your data sets quickly and easily. SIMCA’s multivariate data analysis tools let you quickly see concentrations of proteins or other analytes in your mixture, identify abnormalities or process deviations, and track the key quality indicators. SIMCA 17’s integrated and seamless approach to contextual ribbons, wizards and functionality creates an increasingly intuitive and user-friendly experience.

In addition to the preset common visualization models, SIMCA makes it easy for you to store and share your own filters. You can select these additional views easily with a click as you interact with your data.

You also quickly create reports for your models in various formats with the report generator.  You can use a standard report or add your own text and details to give managers a regular, consistent report without having to spend a lot of time creating it.

Functionality Improvements Users Will Appreciate

Another function SIMCA users may appreciate is increased visibility and automatic downloading of SimApis. A SimApi is a software interface between SIMCA and a third-party application that allows automatic integration of the data.  With SIMCA 17, you will be prompted to install any API applications that you might find useful, such as OSIsoft PI or Aspen Tech, for example, when you first install SIMCA. (To see a list of all SimApis, visit this page). You can install additional SimApis at any point, later as well.

SIMCA 17, like the previous version of SIMCA, offers enhanced functionality and more options for working with Python. Certain modules such as NumPy, SciPy and PANDAs come preinstalled now, instead of requiring a separate download, which makes using them easier. 

SIMCA now also offers backwards compatibility so that analytic views saved in SIMCA 17 can be viewed in earlier versions of SIMCA and SIMCA-online (with some exceptions for new functionally).

An Integrated Offering for PAT and Spectroscopy

SIMCA 17’s integration of process analytics technology (PAT) capabilities with robust support for spectroscopy data offers a unique multivariate data analysis solution especially well-suited for pharma companies and others in highly regulated industries.

Want to Know More? 

Find out more about the latest update to SIMCA multivariate data analysis software: SIMCA 17 in this webinar.

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