Automatic assignment of protein backbone resonances by direct spectrum inspection in targeted acquisition of NMR data

The necessity to acquire large multidimensional datasets, a basis for assignment of NMR resonances, results in long data acquisition times during which substantial degradation of a protein sample might occur. Here we propose a method applicable for such a protein for automatic assignment of backbone resonances by direct inspection of multidimensional NMR spectra. In order to establish an optimal balance between completeness of resonance assignment and losses of cross-peaks due to dynamic processes/degradation of protein, assignment of backbone resonances is set as a stirring criterion for dynamically controlled targeted nonlinear NMR data acquisition. The result is demonstrated with the 12kDa 13C,15N-labeled apo-form of heme chaperone protein CcmE, where hydrolytic cleavage of 29 C-terminal amino acids is detected. For this protein, 90 and 98% of manually assignable resonances are automatically assigned within 10 and 40h of nonlinear sampling of five 3D NMR spectra, respectively, instead of 600h needed to complete the full time domain grid. In addition, resonances stemming from degradation products are identified. This study indicates that automatic resonance assignment might serve as a guiding criterion for optimal run-time allocation of NMR resources in applications to proteins prone to degradatio

Improving and Assessing Planet Sensitivity of the GPI Exoplanet Survey with a Forward Model Matched Filter

We present a new matched filter algorithm for direct detection of point sources in the immediate vicinity of bright stars. The stellar Point Spread Function (PSF) is first subtracted using a Karhunen-Lo\'eve Image Processing (KLIP) algorithm with Angular and Spectral Differential Imaging (ADI and SDI). The KLIP-induced distortion of the astrophysical signal is included in the matched filter template by computing a forward model of the PSF at every position in the image. To optimize the performance of the algorithm, we conduct extensive planet injection and recovery tests and tune the exoplanet spectra template and KLIP reduction aggressiveness to maximize the Signal-to-Noise Ratio (SNR) of the recovered planets. We show that only two spectral templates are necessary to recover any young Jovian exoplanets with minimal SNR loss. We also developed a complete pipeline for the automated detection of point source candidates, the calculation of Receiver Operating Characteristics (ROC), false positives based contrast curves, and completeness contours. We process in a uniform manner more than 330 datasets from the Gemini Planet Imager Exoplanet Survey (GPIES) and assess GPI typical sensitivity as a function of the star and the hypothetical companion spectral type. This work allows for the first time a comparison of different detection algorithms at a survey scale accounting for both planet completeness and false positive rate. We show that the new forward model matched filter allows the detection of $50\%$ fainter objects than a conventional cross-correlation technique with a Gaussian PSF template for the same false positive rate.Comment: ApJ accepte

The stellar content of the Hamburg/ESO survey. IV. Selection of candidate metal-poor stars

We present the quantitative methods used for selecting candidate metal-poor stars in the Hamburg/ESO objective-prism survey (HES). The selection is based on the strength of the Ca II K line, B-V colors (both measured directly from the digital HES spectra), as well as J-K colors from the 2 Micron All Sky Survey. The KP index for Ca II K can be measured from the HES spectra with an accuracy of 1.0 Angstrom, and a calibration of the HES B-V colors, using CCD photometry, yields a 1-sigma uncertainty of 0.07 mag for stars in the color range 0.3 < B-V < 1.4. These accuracies make it possible to reliably reject stars with [Fe/H] > -2.0 without sacrificing completeness at the lowest metallicities. A test of the selection using 1121 stars of the HK survey of Beers, Preston, and Shectman present on HES plates suggests that the completeness at [Fe/H] < -3.5 is close to 100% and that, at the same time, the contamination of the candidate sample with false positives is low: 50% of all stars with [Fe/H] > -2.5 and 97% of all stars with [Fe/H] > -2.0 are rejected. The selection was applied to 379 HES fields, covering a nominal area of 8853 square degrees of the southern high Galactic latitude sky. The candidate sample consists of 20,271 stars in the magnitude range 10 < B < 18. A comparison of the magnitude distribution with that of the HK survey shows that the magnitude limit of the HES sample is about 2 mag fainter. Taking the overlap of the sky areas covered by both surveys into account, it follows that the survey volume for metal-poor stars has been increased by the HES by about a factor of 10 with respect to the HK survey. We have already identified several very rare objects with the HES, including, e.g., the three most heavy-element deficient stars currently known.Comment: 11 pages, 10 figures, accepted for publication in A&

Identifying Ultra-Cool Dwarfs at Low Galactic Latitudes: A Southern Candidate Catalogue

We present an Ultra-Cool Dwarf (UCD) catalogue compiled from low southern Galactic latitudes and mid-plane, from a cross-correlation of the 2MASS and SuperCOSMOS surveys. The catalogue contains 246 members identified from 5042 sq. deg. within 220 deg. <= l <= 360 deg. and 0 deg. < l <= 30 deg., for |b| <= 15 deg. Sixteen candidates are spectroscopically confirmed in the near-IR as UCDs with spectral types from M7.5V to L9. Our catalogue selection method is presented enabling UCDs from ~M8V to the L-T transition to be selected down to a 2MASS limiting magnitude of Ks ~= 14.5 mag. This method does not require candidates to have optical detections for catalogue inclusion. An optimal set of optical/near-IR and reduced proper-motion selection criteria have been defined that includes: an Rf and Ivn photometric surface gravity test, a dual Rf-band variability check, and an additional photometric classification scheme to selectively limit contaminants. We identify four candidates as possible companions to nearby Hipparcos stars -- observations are needed to identify these as potential benchmark UCD companions. We also identify twelve UCDs within a possible distance 20 pc, three are previously unknown of which two are estimated within 10 pc, complimenting the nearby volume-limited census of UCDs. An analysis of the catalogue spatial completeness provides estimates for distance completeness over three UCD MJ ranges, while Monte-Carlo simulations provide an estimate of catalogue areal completeness at the 75 per cent level. We estimate a UCD space density of Rho (total) = (6.41+-3.01)x10^3/pc^3 over the range of 10.5 <= MJ ~< 14.9, similar to values measured at higher Galactic latitudes (|b| ~> 10 deg.) in the field population and obtained from more robust spectroscopically confirmed UCD samples.Comment: MNRAS accepted April 2012. Contains 30 figures and 11 tables. Tables 2 and 6 to be published in full and on-line only. The on-line tables can also be obtained by contacting the author

A QSO survey via optical variability and zero proper motion in the M92 field. IV. More QSOs due to improved photometry

We continue the QSO search in the 10 square degrees Schmidt field around M92 based on variability and proper motion (VPM) constraints. We have re-reduced 162 digitised B plates with a time-baseline of more than three decades and have considerably improved both the photometric accuracy and the star-galaxy separation at B>19. QSO candidates are selected and marked with one out of three degrees of priority based on the statistical significance of their measured variability and zero proper motion. Spectroscopic follow-up observations of 84 new candidates with B>19 revealed an additional 37 QSOs and 7 Seyfert1s. In particular, all 92 high-priority candidates are spectroscopically classified now; among them are 70 QSOs and 9 Seyfert1s (success rate 86%). We expect that 87% (55%) of all QSOs with B<19.0 (19.8) are contained in this high-priority subsample. For the combined sample of high-priority and medium-priority objects, a completeness of 89% is estimated up to B_lim=19.5. The sample of all AGNs detected in the framework of the VPM search in the M92 field contains now 95 QSOs and 14 Seyfert1s with B<19.9. Although the VPM QSOs were selected by completely different criteria, their properties do not significantly differ from those of QSOs found by more traditional optical survey techniques. In particular, the spectra and the optical broad band colours do not provide any hints on a substantial population of red QSOs up to the present survey limit.Comment: 13 pages, 12 figures, accepted for publication in Astronomy and Astrophysic