Software

VoloSoft is PTI’s software package designed to enable efficient use of Raman spectroscopy data and to access the advanced features of the VectorMaster  Raman solutions product line. VoloSoft provides unique features for system automation, data processing and data analysis, powered by proprietary and innovative algorithms for automatic background removal to ensure rapid acquisition of quality spectral data. The user-friendly interfaces give easy access to advanced features including automated spectral library searching, qualitative and/or quantitative spectral analysis, and real time process monitoring. The combination of VoloSoft and the powerful acquisition capacity of the VectorMaster Raman systems offer users a unique opportunity to harness and utilize PTI's state-of-the-art photonics technology.

Key Features

• Software control of laser power, CCD gain and digitization rate
• Auto system calibration with calibration kit (Optional)
• Auto system test with sealed cyclohexane standard
• Automatic & manual background removal, signal averaging, normalization, spectrum overlay
• Peak ID, peak area, SpectrumSearch™, SpectrumPredict™, Real Time Monitoring
• User-definable automation sequences for seamless data processing/data analysis

Data Processing

PTI’s VoloSoft software offers the data processing tools professional users need to obtain critical answers to their analytical questions. A series of drop-down windows allows the operator to configure Smoothing, Normalization, Background Removal, Peak Identification, and Peak Area algorithms.

System Automation

VoloSoft provides system automation. All data processing algorithms can be activated by selecting them under System Automation Setup. The “raw” data and the “processed” data automatically appear upon spectrum acquisition in the Acquisition and Analysis windows, respectively.

Data Analysis

To achieve the quality spectra required for molecular identification, PTI provides unique background removal algorithms. Users can now meet the most challenging and demanding needs for QA/QC and process monitoring in real time. The raw spectrum in the upper Acquisition Window is of caffeine in a brown bottle obtained with PTI’s ProVec Raman Probe in 1 second. The background-removed and efficiency-corrected spectrum (green) is automatically displayed in the lower Analysis Window.

VectorMaster Raman solutions and VoloSoft provide an easy-to-use tool to meet critical needs for real time process monitoring. The system tracks up to five user-defined peaks by either intensity or area. Shown on the left is an example of monitoring five peaks of aspirin with a time interval of 50 ms. The intensities are tabulated in the center panel and displayed in the lower panel as a function of time.

Through a one-step acquisition/search interface, seamless integration of VoloSoft with GRAMS Spectral ID® delivers rapid spectrum acquisition and library searching by just pressing “Start Search”. Shown on the right, are the search results for theophylline in a plastic bag. Using the LSI Vector Raman Probe, theophylline is clearly distinguished from other methyl xanthine molecules. Upper trace: spectrum/lower trace: best matched library spectrum.

One-step acquisition/prediction using Chemometric methods is achieved by just pressing “Predict” on the integrated FastRaman/GRAMS IQ Predict™ interface. PLS quantification of 30% acetone, one second acquisition, in the presence of a large confounding toluene signal is demonstrated on the left. Upper trace: spectrum of 30% acetone test sample; lower trace: after subtraction by “Predict” spectrum.