Context. The interaction of the light from astronomical objects with the constituents of the Earth's atmosphere leads to the formation of telluric absorption lines in ground-based collected spectra. Correcting for these lines, mostly affecting the red and infrared region of the spectrum, usually relies on observations of specific stars obtained close in time and airmass to the science targets, therefore using precious observing time. Aims. We present molecfit, a tool to correct for telluric absorption lines based on synthetic modelling of the Earth's atmospheric transmission. Molecfit is versatile and can be used with data obtained with various ground-based telescopes and instruments. Methods. Molecfit combines a publicly available radiative transfer code, a molecular line database, atmospheric profiles, and various kernels to model the instrument line spread function. The atmospheric profiles are created by merging a standard atmospheric profile representative of a given observatory's climate, of local meteorological data, and of dynamically retrieved altitude profiles for temperature, pressure, and humidity. We discuss the various ingredients of the method, its applicability, and its limitations. We also show examples of telluric line correction on spectra obtained with a suite of ESO Very Large Telescope (VLT) instruments. Results. Compared to previous similar tools, molecfit takes the best results for temperature, pressure, and humidity in the atmosphere above the observatory into account. As a result, the standard deviation of the residuals after correction of unsaturated telluric lines is frequently better than 2% of the continuum. Conclusions. Molecfit is able to accurately model and correct for telluric lines over a broad range of wavelengths and spectral resolutions. The accuracy reached is comparable to or better than the typical accuracy achieved using a telluric standard star observation. The availability of such a general tool for telluric absorption correction may improve future observational and analysing strategies, as well as empower users of archival data.

Context. Data from complex modern astronomical instruments often consist of a large number of different science and calibration files, and their reduction requires a variety of software tools. The execution chain of the tools represents a complex workflow that needs to be tuned and supervised, often by individual researchers that are not necessarily experts for any specific instrument. Aims. The efficiency of data reduction can be improved by using automatic workflows to organise data and execute a sequence of data reduction steps. To realize such efficiency gains, we designed a system that allows intuitive representation, execution and modification of the data reduction workflow, and has facilities for inspection and interaction with the data. Methods. The European Southern Observatory (ESO) has developed Reflex, an environment to automate data reduction workflows. Reflex is implemented as a package of customized components for the Kepler workflow engine. Kepler provides the graphical user interface to create an executable flowchart-like representation of the data reduction process. Key features of Reflex are a rule-based data organiser, infrastructure to re-use results, thorough book-keeping, data progeny tracking, interactive user interfaces, and a novel concept to exploit information created during data organisation for the workflow execution. Results. Automated workflows can greatly increase the efficiency of astronomical data reduction. In Reflex, workflows can be run noninteractively as a first step. Subsequent optimization can then be carried out while transparently re-using all unchanged intermediate products. We found that such workflows enable the reduction of complex data by non-expert users and minimizes mistakes due to book-keeping errors. Conclusions. Reflex includes novel concepts to increase the efficiency of astronomical data processing. While Reflex is a specific implementation of astronomical scientific workflows within the Kepler workflow engine, the overall design choices and methods can also be applied to other environments for running automated science workflows.

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