MALDI-FT-ICR-MS dataset on millimeter-scale stratification of microbial communities in hydrothermal sediments (Guaymas Basin, core 5000-9)

Dataset descriptionThis dataset contains MALDI-FT-ICR-MS feature tables and complementary µXRF elemental data from hydrothermal sediment core 5000-9 from the Cathedral Hill mat complex in the southern Guaymas Basin spreading center (AT42-05 deployment; Nov. 15-29, 2018, Dive 5000).The file names follow the structure:mz_XXX-YYY → the m/z range of the CASI (Continuous Accumulation of Selected Ions) window used during acquisition (e.g., mz_320-460 corresponds to features detected between m/z 320 and 460).DAN / DHB → the MALDI matrix used:DAN = 1,5-diaminonaphthalene (measured in negative ionization mode)DHB = 2,5-dihydroxybenzoic acid (measured in positive ionization mode)GB5000-9 → sediment core 5000-9 from the Cathedral Hill mat complex, Guaymas Basin.Each feature table contains:m/z values and their normalized intensities (normalized to the median peak intensity of each spectrum)Spatial coordinates (x,y) of each spectrum across the sediment sectionAdditional column R (Region), indicating the measured sediment interval:R0 = 0 – 6.1 cm below seafloorR5 = 6.1 – 11.5 cm below seafloorThe folder GB5000-9_DataAnalysis_Export_TXT contains the SNR-filtered (SNR > 4) raw data exported from DataAnalysis (Bruker Daltonik). These files include intensity, SNR, and spatial coordinates (x, y). File names indicate the m/z window, sediment depth, and whether the measurement was performed with 1,5-DAN in negative ionization mode or 2,5-DHB in positive ionization mode.Data preprocessing included lock-mass calibration and signal-to-noise (SNR) filtering (threshold of 4) to remove instrumental noise while retaining low-intensity but potentially meaningful features. Measurements were acquired on a 7T solariX XR FTICR-MS equipped with a Smartbeam II MALDI laser (Bruker Daltonik, Bremen, Germany). Detailed measurement parameters (laser settings, CASI windows) are available in the accompanying Excel file (Measurement_parameters_5000-9_MALDI_FT_ICR_MS).µXRF elemental dataTwo folders, S0559_GB5000-9_µXRF and S0601_GB5000-9_µXRF, contain elemental maps corresponding to the sediment sections with measurements performed using an M4 Tornado system (Bruker Nano GmbH, Berlin, Germany), equipped with an Rh source (50 kV, 600 µA) and poly-capillary optics.Together, these datasets provide high-resolution molecular and elemental information across the hydrothermal sediments of Guaymas Basin sediment core 5000-9.