Releasing {opusreader2} R package on CRAN

Infrared spectroscopy offers fast chemical and physical diagnostics across many industries. The underlying technology started widespread adoption during the 80ties. Specifically, method development in partial least squares regression methods has brought fast analytics forward. Besides chemometric advances, information technology also significantly accelerated computing Fast Fourier Transforms (FFTs) (Griffiths, 1983). The method enables:

• Faster measurements
• Cheaper measurements
• Interpretable chemical fingerprints

In the golden age of AI and automation, sensing approaches can leverage their full diagnostic potential. Bruker Optics & Co. GmbH is a leader in FT-Infrared instrumentation. To get full access to data you produced from infrared spectrometers, we have developed {opusreader2}.

opusreader2: Read Spectroscopic Data from Bruker OPUS Binary Files cran.r-project.org

Reads data from Bruker OPUS binary files of Fourier-Transform infrared spectrometers of the company Bruker Optics GmbH &amp; Co. This package is released independently from Bruker, and Bruker and OPUS are registered trademarks of Bruker Optics GmbH &amp; Co. KG. &lt;<a href="https://www.bruker.com/en/products-and-solutions/infrared-and-raman/opus-spectroscopy-software/latest-release.html" target="_top">https://www.bruker.com/en/products-and-solutions/infrared-and-raman/opus-spectroscopy-software/latest-release.html</a>&gt;. It lets you import both measurement data and parameters from OPUS files. The main method is 'read_opus()', which reads one or multiple OPUS files into a standardized list class. Behind the scenes, the reader parses the file header for assigning spectral blocks and reading binary data from the respective byte positions, using a reverse engineering approach. Infrared spectroscopy combined with chemometrics and machine learning is an established method to scale up chemical diagnostics in various industries and scientific fields.

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install.packages("opusreader2")
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library("opusreader2")

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file <- opus_test_file()
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data <- read_opus(dsn = file)