ACD/Curve Processor

ACD/Curve Processor offers a wide range of features that enable you to extract knowledge from your raw spectra and to communicate this knowledge efficiently.

General Capabilities

• Read data from single-, dual-, or multi-column ASCII files with an ASCII import wizard.
• Export your analytical curves in ASCII file format.
• Import TA Instruments (*.*), JCAMP (*.dx), Galactic GRAMS (*.spc), PANalytical, STOE XRPD (*.raw), Bruker DIFFRAC-AT, and DIFFRAC-PLUS formats.
• Import Sirius pKaLogP software files in an ACD/Labs-specific format.
• Expand the list of supported import/export formats with your own custom external converters (DOS executable (*.exe) or ACD/ChemBasic programs (*.bas)).
• Collect, analyze, report, and store various curves from other modules of ACD/SpecManager (2D plots from ACD/Matrix and 3D Viewer, calibration curves and SIMPLISMA curves from ACD/UV-IR Processor, and Quanalyst graphs from ACD/1D NMR Processor).
• Automatically save all the processing and analysis history, along with full interpretation details for your curves and series in the ACD/Labs universal *.esp file format.
• Attach chemical structures to your analytical curves in order to better identify and interpret them. Find data files through organic, polymeric, inorganic, organometallic, and generic Markush structure searches.
• Organize and compare multiple spectra in Tile, Full, or Overlay (series) modes. Customize series display offset for improved interpretation clarity; add or replace spectra; and synchronize axes through multiple windows. Display offset may be set in absolute or relative units to facilitate work with series with different y-axis units.

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• Customize curve colors, axis names, and directions.
• Capture analytical curve interpretations from the analysts more fully through the use of multiple annotation layers.
• Interactively zoom in on any part of the curve.
• Lock to a desired default display range by specifying either minimum or maximum edges, or regions along the x- or y-axes.
• Create customized data entry dialog boxes with Data Forms Manager to facilitate data input. Store user-designed forms in the local forms library.
• Define up to 16,000 fully searchable user fields per curve record. Data can be entered interactively, imported, or generated automatically by the software through a variety of ways.
• Create professional high-quality reports in PDF and ACD/ChemSketch formats, and more.
• Review processing steps for your curve data with the History file (full audit trail).
• Automate repetitious processing tasks with macro commands, which can be applied later to a series or single curve.
• Quickly create macros through the history file macro-creation or template tools.
• Easily organize your macro library with the Macro Organizer.
• Use the batch-like treatment for your entire file collection using the Group Macro interface.

Curve Processing and Analysis

• Perform various X- and Y-axis conversions through standard mathematical operations with the transform tool. The transform function allows references to typical data values (MinX/MaxX, MinY/MaxY) as well as any specific data points that were annotated (e.g., peak position of an internal standard). The transform tool can be applied to produce normalized curves, to obtain the logarithm function, to linearize a given curve, to calibrate with one or more standard(s), to rotate the curve, and more.
• Calculate derivatives from the 1^st up to the 4^th order derivative and overlay it above the curve for analysis, or permanently convert the curve to the given order.
• Invert the derivative overlay relative to its normal orientation.
• Subtract a curve scaled by a given factor from another curve.
• Baseline correct a curve or series automatically or interactively.
• Interactively remove noise from the data with flexible FFT or Savitsky-Golay smoothing algorithms.
• Cut off a selected part of the curve or series.
• Standardize the apparent resolution of a curve to that of a lower or higher resolution instrument, or to produce uniformly-spaced data sets.
• Model spectrum or spectrum-like curve with a sum of analytic peak functions (Gauss, Lorentz, Gauss+Lorentz mix, LogNormal, Pearson VII).
• Adjust the data spacing (step size along the horizontal axis) for a curve or series by linear or spline interpolation.
• Pick the peaks and inflection points on the curve automatically or manually. These peak positions are automatically entered in a table of peaks.
• Calculate peak areas and FWHH (full width at half-height).
• Read the x and y-axis cursor position boxes to get spectral features location at a glance; the program spontaneously goes to the nearest band maximum and highlights its value when in peak picking mode.
• Measure vertical and horizontal distances on the curve.
• Create strait lines overlaying experimental curves manually or building linear regression on the selected part of the curve. Move and rotate lines. Find intersections of a pair of lines and the middle point of a line segment between two other lines.
• Create annotations to curve regions, peaks, or characteristic points, and attach textual notes.
• Fit the data with a straight line or polynomial making use of a powerful and interactive regression tool.
• Link data from related techniques in a clear hierarchical system; live curve data can be linked directly to a single data point or peak within a chromatogram, spectrum, or another analytical curve.

Database Management (Optional Upgrade)

ACD/Curve Processor does not comprise of a data management system. A state-of-the-art database system with advanced searching capabilities is available. Please see the ACD/Curve Manager product for more details.