Sizing the Ubbelhode effect: The rotational spectrum of tert-butylalcohol dimer

The H - D isotopic substitution of the hydroxylic hydrogen participating in the O\u2013H O hydrogen bond in the tertbutylalcohol dimer produces an increase of the B and C rotational constants, according to the shrinkage of the O O distance of about 7 mA ˚ , underlying and sizing the associated Ubbelohde effect

Tunnelling splittings in the rotational spectrum of 3-fluoro-benzylalcohol

The rotational spectra of 3-fluoro-benzyl alcohol and of its OD isotopologue have been measured by free jet absorption millimeter wave spectroscopy. The spectrum is consistent with a gauche conformation of the oxygen atom, characterized by a OC-C1C2 dihedral angle of approximately 50\ub0, and with the hydroxyl group zusammen with respect to the F atom. c-type transitions are split into two evenly spaced component lines by  1.64 MHz, showing that the CH2OH group undergoes a tunnelling motion which connects two equivalent minima above and below the aromatic ring. The barrier to inversion has been calculated to be 155 cm-

pypeit/PypeIt: Version 1.14.0

Dependency Changes Main dependency bumps: numpy>=1.22, matplotlib>=3.7, ginga>=4.1.1, qtpy>=2.0.1 Functionality/Performance Improvements and Additions Improvements to wavelength grids and masking in coadd routines. Refactored coadding routines to work with lists to support coadding data from different setups. Sensitivity function models can now be computed relative to the flat-field spectrum. Improvements in 2D coaddition Fix a bug in pypeit_setup_coadd2d for the output file name of the .coadd2d file Added possibility to specify more than one Science folder in pypeit_setup_coadd2d Now only_slits parameter in pypeit_coadd_2dspec includes the detector number (similar to slitspatnum) Added exclude_slits parameter in pypeit_coadd_2dspec to exclude specific slits Fix wrong RA and Dec for 2D coadded serendips Allow wavelength calibrations for specific slits/orders to be redone (instead of adopting the value from a processed calibration frame); see new redo_slits parameter. Instrument-specific Updates Adds/Improves support for Gemini/GNIRS (IFU), Keck/KCRM, Keck/ESI, MDM/Modspec, Keck/HIRES, JWST HIRES wavelength solution improvements galore Improvements for Keck/LRIS Generated wavelength templates for all the LRIS grism & grating Added FeAr line list Improved calibration association and frame typing Improved and added documentation Changes to metadata.py including commenting out, in the pypeit file, files that have frametype None (this prevent run_pypeit to crash) Added a function check_spectrograph() (currently only defined for LRIS), that checks (during pypeit_setup) if the selected spectrograph is the corrected one for the data used. Script Changes Added a script to convert a wavelength solution into something that can be placed in the reid archive. Store user-generated wavelength solution in pypeit cache Datamodel Changes Changed calibration frame naming as an attempt to avoid very long names for files with many calibration groups. Sequential numbers are reduced to a range; e.g., '0-1-2-3-4' becomes '0+4' and '3-5-6-10-11-12-15-18-19' becomes '3-5+6-10+12-15-18+19' Instrumental FWHM map is calculated and output in Calibrations and spec1d files. Under-the-hood Improvements Change how masking is dealt with in extraction to fix a bug in how masks were being treated for echelle data Refactored function that loads wavelength calibration line lists Bug Fixes Hotfix for GTC/OSIRIS lamp list Hotfix for Arc1D stats annotations on the QA Hotfix for metadata: correctly set config_independent_frames when multiple configurations are being setup support lists in config_independent_frames Hotfix for rebin (speed-up and conserves flux) Hotfix for skysub regions GUI that used np.bool Hotfix to stop pypeit_setup from crashing on data from lbt_luci1, lbt_luci2, magellan_fire, magellan_fire_long, p200_tspec, or vlt_sinfoni. Hotfix to set BPM for each type of calibration file. Fixed a bug in echelle coadding where the wrong coadded spectra were being used in final stacks. Fix a bug in spectrograph.select_detectors, where a list of slitspatnum could not be used