cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6073/pasta/9dc1d65b21fc045de6c39e90794bb5da
title: North Temperate Lakes LTER: Physical Limnology of Primary Study Lakes 1981 - current

description: Parameters characterizing the physical limnology of the eleven primary lakes (Allequash, Big Muskellunge, Crystal, Sparkling, Trout, bog lakes 27-02 [Crystal Bog] and 12-15 [Trout Bog], Mendota, Monona, Wingra and Fish) are measured at one station in the deepest part of each lake at 0.25-m to 1-m depth intervals depending on the lake. Measured parameters in the data set include water temperature, vertical penetration of photosynthetically active radiation (PAR; not measured on lakes Mendota, Monona, Wingra, and Fish), dissolved oxygen, as well as the derived parameter percent oxygen saturation. Sampling Frequency: fortnightly during ice-free season - every 6 weeks during ice-covered season for the northern lakes. The southern lakes are similar except that sampling occurs monthly during the fall and typically only once during the winter (depending on ice conditions). Number of sites: 11
DOI: 10.6073/pasta/d4f897113328dbae00c8c21ec6dec44c
title: North Temperate Lakes LTER: Physical Limnology of Primary Study Lakes 1981 - current

description: Parameters characterizing the physical limnology of the eleven primary lakes (Allequash, Big Muskellunge, Crystal, Sparkling, Trout, bog lakes 27-02 [Crystal Bog] and 12-15 [Trout Bog], Mendota, Monona, Wingra and Fish) are measured at one station in the deepest part of each lake at 0.25-m to 1-m depth intervals depending on the lake. Measured parameters in the data set include water temperature, vertical penetration of photosynthetically active radiation (PAR; not measured on lakes Mendota, Monona, Wingra, and Fish), dissolved oxygen, as well as the derived parameter percent oxygen saturation. Sampling Frequency: fortnightly during ice-free season - every 6 weeks during ice-covered season for the northern lakes. The southern lakes are similar except that sampling occurs monthly during the fall and typically only once during the winter (depending on ice conditions). Number of sites: 11 Please consult NTL's website for information on experimental lake manipulations and the DNR's website for management activities
DOI: 10.6073/pasta/8341131be71d7d8ae62cfab59bb1cfd2
title: North Temperate Lakes LTER: Physical Limnology of Primary Study Lakes 1981 - current

description: Parameters characterizing the physical limnology of the eleven primary lakes (Allequash, Big Muskellunge, Crystal, Sparkling, Trout, bog lakes 27-02 [Crystal Bog] and 12-15 [Trout Bog], Mendota, Monona, Wingra and Fish) are measured at one station in the deepest part of each lake at 0.25-m to 1-m depth intervals depending on the lake. Measured parameters in the data set include water temperature, vertical penetration of photosynthetically active radiation (PAR; not measured on lakes Mendota, Monona, Wingra, and Fish), dissolved oxygen, as well as the derived parameter percent oxygen saturation. Sampling Frequency: fortnightly during ice-free season - every 6 weeks during ice-covered season for the northern lakes. The southern lakes are similar except that sampling occurs monthly during the fall and typically only once during the winter (depending on ice conditions). Number of sites: 11 Please consult NTL's website for information on experimental lake manipulations and the DNR's website for management activities
DOI: 10.6084/m9.figshare.21554451
title: GCGS0481 GyrA91S/95G

description: SPAdes assembly of GCGS0481 GyrA91S/95G
DOI: 10.6073/pasta/d768a48454a0154bdaa5c93a34c6c672
title: North Temperate Lakes LTER: Physical Limnology of Primary Study Lakes 1981 - current

description: Parameters characterizing the physical limnology of the eleven primary lakes (Allequash, Big Muskellunge, Crystal, Sparkling, Trout, bog lakes 27-02 [Crystal Bog] and 12-15 [Trout Bog], Mendota, Monona, Wingra and Fish) are measured at one station in the deepest part of each lake at 0.25-m to 1-m depth intervals depending on the lake. Measured parameters in the data set include water temperature, vertical penetration of photosynthetically active radiation (PAR; not measured on lakes Mendota, Monona, Wingra, and Fish), dissolved oxygen, as well as the derived parameter percent oxygen saturation. Sampling Frequency: fortnightly during ice-free season - every 6 weeks during ice-covered season for the northern lakes. The southern lakes are similar except that sampling occurs monthly during the fall and typically only once during the winter (depending on ice conditions). Number of sites: 11 Please consult NTL's website for information on experimental lake manipulations and the DNR's website for management activities
DOI: 10.6084/m9.figshare.14449638
title: Data Set_Lanferdini et al. 2022_Sports MDPI

description: Data Set<br>
DOI: 10.6084/m9.figshare.14449638.v2
title: Data Set_Lanferdini et al. 2022_Sports MDPI

description: Data Set<br>
DOI: 10.6084/m9.figshare.14449638.v1
title: Data Set_Lanferdini et al. 2021_Sports Biomechanics

description: Data Set<br>
DOI: 10.5517/ccdc.csd.cc292cj9
title: CCDC 2117440: Experimental Crystal Structure Determination

description: Related Article: Timothy A. Ablott, Rhian Webby, Daniel R. Jenkinson, Alexandra Nikolich, Lujia Liu, Harina Amer Hamzah, Mary F. Mahon, Andrew D. Burrows, Christopher Richardson|2022|Inorg.Chem.|61|1136|doi:10.1021/acs.inorgchem.1c03334
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bjv0r
title: CCDC 2161134: Experimental Crystal Structure Determination

description: Related Article: Shiguo Han, Yu Ma, Lina Hua, Liwei Tang, Beibei Wang, Zhihua Sun, Junhua Luo|2022|J.Am.Chem.Soc.|144|20315|doi:10.1021/jacs.2c07892
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2d3bgb
title: CCDC 2207741: Experimental Crystal Structure Determination

description: Related Article: Valerii Y. Sirenko, Olesia I. Kucheriv, Elzbieta Gumienna-Kontecka, Sergiu Shova, Il'ya A. Gural'skiy|2022|Dalton Trans.|51|16536|doi:10.1039/D2DT03025J
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.3886/rjss-3616
title: Namibia Compact - Community-Based Rangeland & Livestock Management: Baseline Analysis Report (Cattle Assessment)
DOI: 10.3886/g2cw-hx80
title: Namibia Compact - Community-Based Rangeland & Livestock Management: Baseline Analysis Report (Cattle Assessment)
DOI: 10.3886/ehcx-be63
title: Namibia Compact - Community-Based Rangeland & Livestock Management: Final Analysis Report
DOI: 10.3886/kjjv-p582
title: Namibia Compact - Community-Based Rangeland & Livestock Management: Final Analysis Report
DOI: 10.3886/043n-tb77
title: Namibia Compact - Community-Based Rangeland & Livestock Management: Baseline Analysis Report (Household Survey)
DOI: 10.3886/myjk-g595
title: Namibia Compact - Community-Based Rangeland & Livestock Management: Baseline Analysis Report (Household Survey)
DOI: 10.3886/0t0e-ej38
title: Namibia Compact - Community-Based Rangeland & Livestock Management: Design Report
DOI: 10.3886/1ndq-0p31
title: Namibia Compact - Community-Based Rangeland & Livestock Management: Design Report
DOI: 10.6084/m9.figshare.17064698.v1
title: Categorizing urban space.zip

description: De-identified Twitter data from Singapore (2012-2016)
DOI: 10.6084/m9.figshare.17064698
title: Categorizing urban space.zip

description: De-identified Twitter data from Singapore (2012-2016)
DOI: 10.4121/17121269.v1
title: Drawings and pictures of Sand Scraper design and user manual for the device

description: The sand scraper was designed to determine the vertical variability of grain sizes at the beach surface. Here, designs, drawings and photos of the sand scraper are provided to enable the reproduction of the device. Additionally, the manual of the original sand scraper is provided to give insight into the use of the device in the field. <br><br>Note that the designs, drawings and photos show the most important mechanisms of the device but for full reproduction more details are needed. Please contact Christa van IJzendoorn (c.o.vanijzendoorn@tudelft.nl) and Pieter van der Gaag (p.vandergaag@tudelft.nl) when you want to make a reproduction of the Sand Scraper. <br>
DOI: 10.4121/17121269.v2
title: Drawings and pictures of Sand Scraper design and user manual for the device

description: The sand scraper was designed to determine the vertical variability of grain sizes at the beach surface. Here, designs, drawings, a video and photos of the sand scraper are provided to enable the reproduction of the device. Additionally, the manual of the original sand scraper is provided to give insight into the use of the device in the field.<br> <br> Note that the designs, drawings and photos show the most important mechanisms of the device but for full reproduction more details are needed. Please contact Christa van IJzendoorn (c.o.vanijzendoorn@tudelft.nl) and Pieter van der Gaag (p.vandergaag@tudelft.nl) when you want to make a reproduction of the Sand Scraper.<br>
DOI: 10.4121/17121269
title: Drawings and pictures of Sand Scraper design and user manual for the device

description: The sand scraper was designed to determine the vertical variability of grain sizes at the beach surface. Here, designs, drawings, a video and photos of the sand scraper are provided to enable the reproduction of the device. Additionally, the manual of the original sand scraper is provided to give insight into the use of the device in the field.<br> <br> Note that the designs, drawings and photos show the most important mechanisms of the device but for full reproduction more details are needed. Please contact Christa van IJzendoorn (c.o.vanijzendoorn@tudelft.nl) and Pieter van der Gaag (p.vandergaag@tudelft.nl) when you want to make a reproduction of the Sand Scraper.<br>
DOI: 10.4121/21532917.v1
title: Data files used for exploring BRAF mutation-associated gene risk model for predicting the prognosis of melanoma

description: We identified significantly enriched KEGG pathways and corresponding genes in the BRAF mutant group via GSEA. For the first time, a prognostic signature based on seven BRAF-related genes with an independent prognostic value for melanoma patients and related to immune cell infiltration and checkpoint was constructed and validated. Furthermore, we established a nomogram based on the prognostic signature and independent clinical characteristics, providing a tool for the objective assessment of the survival rate of melanoma patients. <br>
DOI: 10.4121/21532917
title: Data files used for exploring BRAF mutation-associated gene risk model for predicting the prognosis of melanoma

description: We identified significantly enriched KEGG pathways and corresponding genes in the BRAF mutant group via GSEA. For the first time, a prognostic signature based on seven BRAF-related genes with an independent prognostic value for melanoma patients and related to immune cell infiltration and checkpoint was constructed and validated. Furthermore, we established a nomogram based on the prognostic signature and independent clinical characteristics, providing a tool for the objective assessment of the survival rate of melanoma patients. <br>
DOI: 10.4121/21533988.v1
title: Physical properties and mechanical parameters of limestone rocks from Central Apennines (Italy) by laboratory test on intact rock specimens

description: The dataset contains the major physical properties and the mechanical parameters of several intact rock samples of limestone collected from the Central Apennine region (Italy). The physical properties obtained for the rock samples are unit weight, density and porosity. The derived mechanical parameters include uniaxial compressive strength, cohesion, friction angle, tensile strength, elastic modulus, and Poisson ratio. When available, also the index parameters (point load index) and the dynamic characteristics (elastic wave velocities) are provided. The laboratory tests for these samples were conducted in accordance with the International Society for Rock Mechanics (ISRM) standards.
DOI: 10.4121/21533988
title: Physical properties and mechanical parameters of limestone rocks from Central Apennines (Italy) by laboratory test on intact rock specimens

description: The dataset contains the major physical properties and the mechanical parameters of several intact rock samples of limestone collected from the Central Apennine region (Italy). The physical properties obtained for the rock samples are unit weight, density and porosity. The derived mechanical parameters include uniaxial compressive strength, cohesion, friction angle, tensile strength, elastic modulus, and Poisson ratio. When available, also the index parameters (point load index) and the dynamic characteristics (elastic wave velocities) are provided. The laboratory tests for these samples were conducted in accordance with the International Society for Rock Mechanics (ISRM) standards.
DOI: 10.4121/20317884.v1
title: EDoM measurement campaign: cross-channel transect data

description: In 2018 and 2019 field surveys were conducted to better understand water and sediment exchamge mechanisms between the lower Ems River and the outer Ems estuary. In order to capture the contrasting conditions resulting from river discharge variability, two measurement campaigns were defined: one in August 2018 (local summer with relatively low river discharge) and one in January 2019 (beginning of the wet winter conditions). The collected dataset comprises (per campaign) of 10 observation locations measuring for at least one spring-neap tidal cycle (2 RWS frames RS, 5 bottom mounts BM, and 3 mooring chains MC) 8 simultaneous 13-hrs observations (including fixed stations SB, cross-channel transects CS, and one longitudinal transect). This dataset provides the cross-channel data. More detailed description of the data is provided in the accompanying report (report-EDoM-v2.0.pdf).
DOI: 10.4121/20317884.v2
title: EDoM measurement campaign: cross-channel transect data

description: In 2018 and 2019 field surveys were conducted to better understand water and sediment exchamge mechanisms between the lower Ems River and the outer Ems estuary. In order to capture the contrasting conditions resulting from river discharge variability, two measurement campaigns were defined: one in August 2018 (local summer with relatively low river discharge) and one in January 2019 (beginning of the wet winter conditions). The collected dataset comprises (per campaign) of 10 observation locations measuring for at least one spring-neap tidal cycle (2 RWS frames RS, 5 bottom mounts BM, and 3 mooring chains MC) 8 simultaneous 13-hrs observations (including fixed stations SB, cross-channel transects CS, and one longitudinal transect). This dataset provides the cross-channel data. More detailed description of the data is provided in the accompanying report (report-EDoM-v2.0.pdf).
DOI: 10.4121/20317884
title: EDoM measurement campaign: cross-channel transect data

description: In 2018 and 2019 field surveys were conducted to better understand water and sediment exchamge mechanisms between the lower Ems River and the outer Ems estuary. In order to capture the contrasting conditions resulting from river discharge variability, two measurement campaigns were defined: one in August 2018 (local summer with relatively low river discharge) and one in January 2019 (beginning of the wet winter conditions). The collected dataset comprises (per campaign) of 10 observation locations measuring for at least one spring-neap tidal cycle (2 RWS frames RS, 5 bottom mounts BM, and 3 mooring chains MC) 8 simultaneous 13-hrs observations (including fixed stations SB, cross-channel transects CS, and one longitudinal transect). This dataset provides the cross-channel data. More detailed description of the data is provided in the accompanying report (report-EDoM-v2.0.pdf).
DOI: 10.3886/pdjj-9j44
title: Cabo Verde Compact II - Land Management for Investment: Final Analysis Report
DOI: 10.6084/m9.figshare.21554496
title: Data_Ethology_of_Ips_cembrae.xlsx

description: Dataset
DOI: 10.6084/m9.figshare.21554496.v1
title: Data_Ethology_of_Ips_cembrae.xlsx

description: Dataset
DOI: 10.3886/k47m-xy30
title: Indonesia Compact - Green Prosperity: On Grid Renewable Energy Grant Portfolio: Final Analysis Report
DOI: 10.3886/behp-8b54
title: Indonesia Compact - Community-Based Health and Nutrition: Final Analysis Report
DOI: 10.14272/cjbzyjxekpoktb-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-(bromomethyl)-4-[2-[4-(bromomethyl)phenyl]ethynyl]benzene)
title: InChI=1S/C16H12Br2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,11-12H2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3060 (w), 3047 (w), 3026 (w), 2969 (w), 1701 (m), 1677 (m), 1656 (w), 1649 (w), 1639 (w), 1630 (w), 1608 (w), 1513 (m), 1436 (w), 1411 (m), 1367 (w), 1357 (w), 1222 (s), 1194 (s), 1181 (m), 1128 (w), 1088 (m), 834 (vs), 819 (s), 771 (s), 730 (m), 592 (vs), 537 (m), 520 (s), 482 (m), 472 (s), 436 (w), 428 (m), 408 (m), 388 (w) cm–1.
DOI: 10.14272/cjbzyjxekpoktb-uhfffaoysa-n.1
title: 4,4'-bis(bromomethyl)tolan
title: InChI=1S/C16H12Br2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,11-12H2

description: This dataset contains experimental data from a sample (1-(bromomethyl)-4-[2-[4-(bromomethyl)phenyl]ethynyl]benzene, InChI=1S/C16H12Br2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,11-12H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)
DOI: 10.14272/cjbzyjxekpoktb-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-(bromomethyl)-4-[2-[4-(bromomethyl)phenyl]ethynyl]benzene)
title: InChI=1S/C16H12Br2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,11-12H2

description: dataset for mass spectrometry (MS) MS (ESI, 70 eV, 20 °C, %) m/z = 364 (1) [M]+, 205/206 (100/29) [M+H–Br2]+, 284/286 (11/12) [M–Br]+.HRMS-ESI (m/z): [M]+ calc. for C16H1279Br2, 363.9285; found: 364.0753.
DOI: 10.14272/cjbzyjxekpoktb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-(bromomethyl)-4-[2-[4-(bromomethyl)phenyl]ethynyl]benzene)
title: InChI=1S/C16H12Br2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,11-12H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 7.54–7.45 (m, 4H), 7.45–7.33 (m, 4H), 4.50 (s, 4H).
DOI: 10.14272/cjbzyjxekpoktb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-(bromomethyl)-4-[2-[4-(bromomethyl)phenyl]ethynyl]benzene)
title: InChI=1S/C16H12Br2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h3-10H,11-12H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 138.0 (Cq, 2C, CAr), 132.0 (+, 4C, CAr), 129.1 (+, 4C, CAr), 123.2 (Cq, 2C, CAr), 89.7 (Cq, 2C, C≡C), 33.0 (–, 2C, CH2).
DOI: 10.6084/m9.figshare.20246763.v1
title: Tables_NMDS_Figs

description: Data files and R code used to create tables and NMDS figures
DOI: 10.3886/n2mb-jn23
title: Indonesia Compact - Community-Based Health and Nutrition: Interim Analysis Report
DOI: 10.6084/m9.figshare.20246661.v1
title: Stacked_IRI_Fig

description: Data files and R code used to create stacked IRI plot
DOI: 10.3886/e6zc-0t17
title: Indonesia Compact - Community-Based Health and Nutrition: Baseline Analysis Report
DOI: 10.6084/m9.figshare.21543621
title: Spatiotemporal patterns of macroinvertebrate assemblages across alpine streams with contrasted thermal regime

description: The database contains biological and environmental data collected during a survey carried out across 5 stream sites of the Serio watershed (Orobic Alps, Italy): GU, GD, OU, OD, NN. <br> At each stream site, a monthly sampling was carried out during a one-year campaign, from June 2020 to May 2021, providing 58 samples (12 months*5 sites with two missing samples in NN May and OU February). Macroinvertebrates were sampled with a Surber net (0.10 m2, 500 µm mesh). For each taxon the number of individuals/1 m2 collected at each sampling is reported. <br> -Dictyogenus_f. refers to Dictyogenus fontium -Perlodes_i. refers to Perlodes intricatus -Epeorus_al. refers to Epeorus alpicola -Epeorus_as. refers to Epeorus assimilis (or sylvicola depending on the references) -Serratella_i. refers to Serratella ignita -Elmidae_A refers to Elmidae adults -Elmidae_L refers to Elmidae larvae -Scirtidae_L refers to Scirtidae larvae <br> Moreover we reported the environmental variables measured at each sampling: -HABITAT (Stream habitat availability) -DISTURBANCE (Flood disturbance, %) -ALGAE (Autochtonous biomass, g/m2) -CE (electrical conductivity, uS/cm) -COD (Chemical oxygen demand, mg/l) -pH -TMean (daily mean water temperature of the antecedent 30 days, °C) -CPOM (coarse particulate organic matter, g/m2) -O2 (oxygen saturation, %) -DO (dissolved oxygen, mg/l) NNO3 (nitric nitrogen, mg/l) TAmp (annual water temperature variability, °C) <br>
DOI: 10.6084/m9.figshare.21543621.v1
title: Spatiotemporal patterns of macroinvertebrate assemblages across alpine streams with contrasted thermal regime

description: The database contains biological and environmental data collected during a survey carried out across 5 stream sites of the Serio watershed (Orobic Alps, Italy): GU, GD, OU, OD, NN. <br> At each stream site, a monthly sampling was carried out during a one-year campaign, from June 2020 to May 2021, providing 58 samples (12 months*5 sites with two missing samples in NN May and OU February). Macroinvertebrates were sampled with a Surber net (0.10 m2, 500 µm mesh). For each taxon the number of individuals/1 m2 collected at each sampling is reported. <br> -Dictyogenus_f. refers to Dictyogenus fontium -Perlodes_i. refers to Perlodes intricatus -Epeorus_al. refers to Epeorus alpicola -Epeorus_as. refers to Epeorus assimilis (or sylvicola depending on the references) -Serratella_i. refers to Serratella ignita -Elmidae_A refers to Elmidae adults -Elmidae_L refers to Elmidae larvae -Scirtidae_L refers to Scirtidae larvae <br> Moreover we reported the environmental variables measured at each sampling: -HABITAT (Stream habitat availability) -DISTURBANCE (Flood disturbance, %) -ALGAE (Autochtonous biomass, g/m2) -CE (electrical conductivity, uS/cm) -COD (Chemical oxygen demand, mg/l) -pH -TMean (daily mean water temperature of the antecedent 30 days, °C) -CPOM (coarse particulate organic matter, g/m2) -O2 (oxygen saturation, %) -DO (dissolved oxygen, mg/l) NNO3 (nitric nitrogen, mg/l) TAmp (annual water temperature variability, °C) <br>
DOI: 10.14272/bpbojzfnhxuung-uhfffaoysa-n.1
title: C16H17N
title: InChI=1S/C16H17N/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,17H2

description: This dataset contains experimental data from a sample (InChI=1S/C16H17N/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9,17H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR)