Infrared Spectra of Trans-Neptunian Object Ice Analogs Liens ============================================================ Documentation ============= --> There does not appear to be any documentation related to the laboratory and instrument (not even a description is given in the PDS labels). Please provide documentation for the lab and instrument (or resolve in part via well-defined context objects) so users do not have to read cited papers to find this information. file: 'ir_ices_lab_spectra/overview.txt' --> The text is currently too sparse/thin and relies on details only provided in the published papers. Please expand it into a comprehensive overview file so users do not have to go elsewhere, including: - Ice sample preparation (preparation of TNO ice analogs), lab conditions (e.g., pressure, temperature), measurement viewing geometry, and Galactic Cosmic Ray (GCR) proxy processing (including defining the GCR acronym). - Which spectra were measured and the data reduction performed. - Whether the spectra are absolute or normalized (and if normalized, state the wavelength at which they were normalized). - Information regarding per-file experimental/instrument parameters: sample thickness (needed to derive actual absorption from dimensionless absorbance), phase/crystallinity, radiation dose (the papers show a series of radiation doses, so clarify what was used for each file in the dataset), signal precision, spectral resolution, saturation, continuum removal, and spectrometer settings. Please provide these parameters (in the documentation and/or per-file label metadata) if available; if any were not measured or are unavailable, explicitly document that. - A discussion of measurement uncertainties (both random Gaussian noise and systematic lab uncertainties) and how they were calculated, especially if adding an uncertainty column to the data tables is not feasible. - Recommendation: Consider including thumbnail plots or a mapping in the description of the TNO ice analogs' spectra. Because more spectra were taken and described in the papers than submitted to the archive, this would help users match which archived spectrum corresponds to which spectrum in the papers. Data ==== Spectra Files ('data/*.csv') --> Properly label the columns and units in the CSV headers and labels: confirm the wavelength column (wavenumber in 1/cm) and fix the unit for Absorbance, which currently says "Intensity" ("Intensity" is not a unit, and absorbance is dimensionless). --> Inconsistent numerical data formats and decimal precision across files: - Some files do not have enough decimal places in the wavenumber column (e.g., '13ch3oh_10k_ir_irradiated.csv' and 'h2s_40k_ir_unirradiated.csv'), leading to excessive rounding and non-unique x-values (e.g., multiple rows with 5.95E+03 or 5950). Please restore full precision if available. - Other files have a reasonable number of decimals for wavenumber (e.g., '13ch4_10k_ir_irradiated.csv') or excessive decimals for absorbance (e.g., '13co2_40k_ir_unirradiated.csv'). Please standardize to an appropriate precision. --> There are negative absorbance values in the data (e.g., in 'h2s_40k_ir_unirradiated.csv' and '13ch3oh_10k_ir_irradiated.csv'), which are unphysical. Please correct or explain in the documentation. --> Recommendation: Include a third column for the uncertainties associated with the spectral measurements for each TNO ice analog if available (or document the uncertainties in the overview file if not possible). file: '13co2_10k_ir_unirradiated.csv' --> Inconsistency between irradiated and unirradiated in the internal header keywords: the File Name ('13CO2_10K_IR_unirradiated.csv') and Target Name ('Unirradiated 13CO2 ice at 10K') say unirradiated, but the Product Description says "IR Spectrum of 13CO2 irradiated by GCR proxy at 10K". Please correct. Labels ====== --> Are there any other authors to be added (e.g., Ralf Kaiser)? The original delivery said "Zhang C. et al" and the CSV headers only list "Zhang C.". Please ensure all authors and editors, if any, are included. --> Update from IM 1.15.0.0 to a more recent IM, especially to be able to add more author/editor metadata. --> No context objects exist for Observing_System or Observing_System_Component, and the target list has no context objects associated with them (which may prevent them from being findable). Please create and reference the appropriate context objects. --> The description of the host sounds like a description of an investigation. W.M. Keck Laboratory should be the host, and there should be an Investigation_Area created/referenced for the funding grant that paid for this work. --> Note: Per-file metadata (such as sample parameters, radiation dose, thickness, etc.) should be placed in the PDS4 XML labels rather than expanding the ad-hoc CSV text headers. --> Check : Currently listed as "Derived". Since absorbance is calculated by dividing by a blank spectrum (analogous to flat-fielding), confirm whether the processing level should be "Calibrated" rather than "Derived". --> Check the unit of measure for the absorbance column in the XML labels (currently "Intensity" in the CSV headers; absorbance is dimensionless). file: 'bundle.xml' --> Time_Coordinates are most likely not needed and should be removed. Also, they differ greatly from the child collection. file: 'ir_ices_lab_spectra/collection.xml' --> SBN to coordinate and create DOI for collection. files: 'ir_ices_lab_spectra/document/*.xml' --> Ensure that each paper included herein can be reproduced (and published) in the PDS archive, taking into account the licenses prominently mentioned on the papers. --> --> One of the documents says it was downloaded by University of Hawaii, library serials dept at a specific IP address. --> Clarify in the Citation_Information.description that these papers are re-prints. --> Strongly suggest adding as an external reference with the citation (and link/DOI) for the paper's original publication. Note that the DOI is included in the object. EN Liens ======== *.xml - Please create context products for the laboratory and the instrument, perhaps with LIDs like urn:nasa:pds:context:facility:laboratory.uhawaii-keck urn:nasa:pds:context:instrument:uhawaii-keck.nicolet6700 and add lid_references to them in the labels. A real example: https://sbn.psi.edu/pds/resource/metfri.html has various labels with lid_references to urn:nasa:pds:context:facility:laboratory.em3 urn:nasa:pds:context:instrument:em3.ptf_100_friability_tester and those LIDs are defined in these context products: https://pds.nasa.gov/data/pds4/context-pds4/facility/laboratory.em3_1.1.xml https://pds.nasa.gov/data/pds4/context-pds4/instrument/em3.ptf_100_friability_tester_1.3.xml collection.xml - Citation_Information/doi is missing document/c__zhang_pnas_pdf_a_1b.xml - Suggestion: add lid_references as well to the lab, the instrument, and the target.