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27 results for “Raman spectra”
Raman spectra of the Adenoma-Carcinoma-Sequence in a mice model
<p>In the following, a short desciption for each csv files:</p> <ol> <li>Meta data: includes information about mice ID, scans collected from each mouse, location of extracted scans, activity of P53 gene, mouce gender, tissue type.</li> <li>MSpectra: contains mean spectra of tissue types with respect to each extracted scan.</li> <li>TissueLabels: describes different divisions of tissue types;e.g. normal vs abnormal, normal vs HB vs Karzinom, normal vs HB vs adenoma vs carcinoma</li> <li>Wavenumbers: includes Raman spectra wavenumbers. </li> </ol>
Raman spectra dataset of hydrous glasses of Le Losq et al., 2012, Am. Min 97:779-790
<p>This dataset contains Raman spectra of hydrous glasses used in the publication of Le Losq et al. (2012) to implement a chemical-independent method to quantify water content of glasses with Raman spectroscopy.</p> <p>Spectra are unprocessed. They were acquired with a T64000 Jobin-Yvon triple grating Raman spectrometer equipped with a confocal system, a 1024 CCD detector cooled by liquid nitrogen and an Olympus microscope. The optimal spatial resolution allowed by the confocal system is 1–2 μm<sup>2</sup> with a 100× Olympus objective. The spectral resolution of the spectrometer is 0.7 cm<sup>–1</sup>. A Coherent laser 70-C5 Ar+, having a wavelength of 514.532 nm, is used for the excitation line.</p> <p>The file dataliste.csv contains a list of the spectra together with the sample name and water contents in wt%. See Tables 1 and 2 in Le Losq et al. (2012) for corresponding sample chemical composition and errors on water concentrations, as well as supplementary information for a table containing the regions of interest for background fitting.</p> <p>Reference</p> <p>Le Losq, C., Neuville, D.R., Moretti, R., Roux, J., 2012. Determination of water content in silicate glasses using Raman spectrometry: Implications for the study of explosive volcanism. American Mineralogist 97, 779–790. <a href="https://doi.org/10.2138/am.2012.3831">https://doi.org/10.2138/am.2012.3831</a></p>
Raman Spectra of K2ReCl6 and K2SnCl6, published in PRB 107, 214301 (2023)
<p>Raman Spectra of K2ReCl6 from 5 K to room temperature, as well as K2SnCl6 at room temperature, in c(aa)c' and c(ab)c' configuration. Spectra shown and discussed in Phys. Rev. B <strong>107 </strong>214301 (2023), also available as preprint https://arxiv.org/abs/2209.05866. </p>
Raman spectra of rhenium heptoxide Re2O7 and its water adducts: Re2O7.2H2O and Re2O7.2D2O
<p>Raw .txt files of the Raman spectra of Re2O7, Re2O7.2H2O and Re2O7.2D2O obtained by the controlled hydration of Re2O7.</p>
Optical Raman spectra of water in quartz cuvette, and empty quartz cuvette, measured with Thorlabs Raman Kit at 785nm laser diode wavelength
<p>The Thorlabs Raman spectroscopy kit was tested with water. The excitation light was 785nm laser diode. The laser wavelength was calibrated with a NIST polystyrene sample in the shape of a prisma with size of a cuvette. The sample was the empty quartz cuvette, and the cuvette filled with water. Simple subtraction of both spectry yields a watzer spectrum, with a broad H-O-H vibration peak at 900 nm.</p> <p> </p> <p><a href="https://www.thorlabs.de/newgrouppage9.cfm?objectgroup_id=14241">Modular Raman Spectroscopy Kit (thorlabs.de)</a></p>
Raman spectra collected from influenza A strains at 785 and 532 nm
<p>This composite contains Raman spectra of a strain of Influenza A subtype H1N1 (A/nebraska/14/2019) and subtype H3N2 (A/hawaii/47/2014) collected at an incident wavelenght of 785 nm and 532 nm. The spectra were collected at 100x magnification for 5 seconds per spectrum.</p>
Raman spectra of Co3O4 and ZnO thin layers on Si
<p>The Raman spectra were recorded on samples consisting of a zinc oxide (ZnO) layer, a cobalt oxide (Co3O4) layer, and a silicon (Si) substrate. The thickness of the layers is as follows: 70 nm, 15 nm, and 200 µm. The sample was annealed at 400°C for 30 minutes.</p> <p>The Raman measurements were conducted using a T64000 Horiba Jobin-Yvon spectrometer at room temperature, operating in a single subtractive operation mode with an entrance slit width of 0.1 mm. For excitation, the 514.5 nm line of an Ar+ laser was utilized. Detection was performed using a silicon CCD camera cooled with liquid nitrogen.</p>
Raman spectra of urine from patients with diabetes mellitus and other pathologies
<p>This dataset contains raw (<strong>unprocessed Raman spectra</strong>) of urine from de-identified human patients. Analysis of this dataset is included in our journal article, "<em><strong>Analysis of urine Raman spectra differences from patients with diabetes mellitus and other pathologies</strong></em>." The dataset includes urine Raman spectra from (1) healthy volunteers, (2) patients with chronic kidney disease and diabetes mellitus, (3) patients with chronic kidney disease and without diabetes mellitus, (4) patients with biopsy-confirmed diabetic nephropathy, (5) patients with biopsy-confirmed immune-mediated nephropathy, (5) patients with biopsy-confirmed membranous nephropathy, (6) patients with biopsy-confirmed renal neoplasm, (7) patients with other glomerular pathologies, and (8) Surine (urinalysis control).</p> <p>Raman spectra were obtained with the following parameters:</p> <ul> <li>Raman spectrometer: Agiltron PeakSeeker PRO-785</li> <li>Mode: Bulk liquid scanning</li> <li>Wavelength: 785 nm</li> <li>Wavenumber range: 200-2000 cm-1</li> <li>Laser power: 30 mW</li> <li>Spectral resolution: 8 cm-1</li> <li>Laser spot size: 0.2 mm</li> <li>Excitation time: 30 s</li> </ul> <p>Raman spectral data and de-identified metadata are present in tab-separated value (tsv) files. Each urine sample is bar-code identified and linked to a disease state (or control) in the metadata tsv file. Ten (10) independent Raman scan replicates exist for each urine sample and are identified by bar-code in the spectral data tsv file. The study IRB approval and a sample blank patient consent form are also included here.</p>
Data for "Tensorial properties via the neuroevolution potential framework: Fast simulation of infrared and Raman spectra"
<p>This record contains neuroevolution potential (NEP) and tensor neuroevolution potential (TNEP) models (nep*.txt) for molecular water species, liquid water as well as barium zirconate, along with training data<i> (*</i>.zip). The models were constructed using GPUMD 3.9 (https://gpumd.org/).</p>
Raman spectra from "Discrimination of immune cell activation using Raman micro-spectroscopy in an in-vitro & ex-vivo model"
<p>The uploaded files are data from Chaudhary et al, 2021 (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Discrimination of immune cell activation using Raman micro-spectroscopy in an in-vitro & ex-vivo model, https://doi.org/10.1016/j.saa.2020.119118).</p> <p>There are two files in .mat format. In one (Preprocessed.mat) the data has been completely pre-processed according to the methods described in the paper.</p> <p>In the second (Unpreprocessed.mat) the data has been calibrated using the methods described in the paper, but has not received further pre-processing.</p> <p>Within both files there are datasets for the spectral measurement from each cell (‘spectra’), together with the treatment which was applied to each sample (‘treatment’) and the wavenumber at which the spectral measurements were made (‘wavenumber’).</p>
Dataset for Direct comparison of different protocols to obtain Surface enhanced Raman spectra of human serum
<p>This dataset contains all the spectra used in "Direct comparison of different protocols to obtain Surface enhanced Raman spectra of human serum ". Data are available in a compressed folder ("Dataset serum spectra") containing all the 75 TXT files (1 file=1 spectrum) of the same serum sample analyzed with the 5 protocols presented in the article. </p> <p>The script employed for loading, preprocessing, and analyzing the dataset is named "Script for spectra analysis." Furthermore, the DOCX file ("Instructions") provides details concerning the metadata embedded within the title of each TXT file. </p>
Determination of Raman spectra of water H2O and heavy water D2O using Thorlabs modular Raman kit
Open the record for dataset details and reuse information.
Complete Data Set, Raman spectra for strains A/Nebraska/14/2019 and A/Hawaii/47/2014 collected at 785 nm and 532 nm
<p>This data contains Raman spectra for two different strains of Influenza A; A/Nebraska/14/2019 which is an H1N1 subtype and A/Hawaii/47/2014 which is an H3N2 subtype. There contains data for 10 separate growth cultures (i.e. 10 files) for each subtype, collected at two different wavelengths; 785 nm and 532 nm. This makes a total of 40 files. Each file has 400 spectra collected. All spectra were collected at 100x with a 5 second accumulation time. </p>
Supplementary material: Non-resonant Raman spectra of the methyl radical 12CH3 simulated in variational calculations
<p>Supplementary material to the manuscript: A. Y. Adam, P. Jensen, A. Yachmenev, S. N. Yurchenko, Non-resonant Raman spectra of the methyl radical <sup>12</sup>CH<sub>3</sub> simulated in variational calculations, J. Chem. Phys., submitted</p> <p>Contains several files</p> <ol> <li><em><strong>Makefile, main.f90, accuracy.f90, xy3_alpha.f90</strong></em> - Makefile and Fortran 90 source code files for computing the electric polarizability tensor of CH3. <br> To compile the program: type make<br> To run: ./main.x ch3_alpha.par ch3_alpha.dat >ch3_alpha.out<br> </li> <li><em><strong>ch3_alpha.dat</strong></em> - ASCII file containing molecular Cartesian coordinates and reference (ab initio computed) values of polarizability tensor (everything is in atomic units). Each line correspond to a different molecular geometry, Cartesian coordinates are listed in the following order: x(C), y(C), z(C), x(H1), y(H1), z(H1), x(H2), y(H2), z(H2), x(H3), y(H3), z(H3). Starting from the column no. 13, the values of polarizability tensor elements are listed, the order is: alpha_xx, alpha_xy, alpha_xz, alpha_yx, alpha_yy, alpha_yz, alpha_zx, alpha_zy, alpha_zz. The last column contains the reference electronic energy in cm<sup>-1</sup>.<br> </li> <li><em><strong>ch3_alpha.par</strong></em> - ASCII file containing parameters of symmetry-adapted analytical functions used to represent the polarizability tensor.<br> </li> <li><em><strong>ch3_alpha.out</strong></em> - output file contains Cartesian coordinates of atoms, computed from analytical functions polarizability tensor (only symmetric elements), deviations from the reference data, and reference energy.<br> </li> <li><em><strong>CH3_RAMAN_R0_R2_JMAX20</strong></em> and <em><strong>CH3_LEVELS_JMAX20_EMAX14000</strong></em>: Raman line list for CH<sub>3</sub>.<br> <br> <em><strong>CH3_RAMAN_R0_R2_JMAX20</strong></em> contains Raman transitions in the following form:<br> -------------------------------------------------------------------------------<br> Bytes Format Label Explanations<br> -------------------------------------------------------------------------------<br> 1- 9 i9 --- N' Upper state ID number (refers to a state in file CH3_LEVELS_JMAX20_EMAX14000)<br> 10- 18 i9 --- N" Lower state ID number (refers to a state in file CH3_LEVELS_JMAX20_EMAX14000)<br> 47- 68 f10.4 --- nu Transition wavenumber, in units cm-1<br> 47- 68 f22.16 --- A R0^2 matrix element, in units [(ea0)^2/E_h]^2<br> 80- 101 f22.16 --- A R2^2 matrix element, in units [(ea0)^2/E_h]^2<br> -------------------------------------------------------------------------------<br> <br> <em><strong>CH3_LEVELS_JMAX20_EMAX14000</strong></em> <br> -------------------------------------------------------------------------------<br> Bytes Format Label Explanations<br> -------------------------------------------------------------------------------<br> 2- 3 i2 --- J [0/40] J-quantum number J is the total angular momentum excluding nuclear and electronic spin<br> 6- 14 i9 --- N State ID number, non-negative integer index, starting at 1<br> 17- 19 a3 --- G Total state symmetry in D3h(M), Gamma = A1', A2', E', A1", A2", E"<br> 23- 32 i12 --- E State energy term value in cm-1<br> 36- 38 i2 --- Gr Rotational component symmetry in D3h(M)<br> 40- 42 i3 --- K [0/85] Projection of J onto z axis of molec., in units of hbar<br> 44- 45 i2 --- Pr [0/1] Rotational parity tau, defined as (-1)^tau<br> 51- 53 a3 --- Gv Vibrational component symmetry in D3h(M)<br> 54- 57 i2 --- n1 TROVE vibrational quantum number for C-H1 local model stretch<br> 58- 61 i4 --- n2 TROVE vibrational quantum number for C-H2 local model stretch<br> 62- 65 i4 --- n3 TROVE vibrational quantum number for C-H3 local model stretch<br> 66- 69 i4 --- n4 TROVE vibrational quantum number for Ea symmetry-adapted CCH local mode bend<br> 70- 73 i4 --- n5 TROVE vibrational quantum number for Eb symmetry-adapted CCH local mode bend<br> 74- 77 i4 --- n6 TROVE vibrational quantum number for out-of-plane (umbrella-type) bending mode<br> 81- 85 f5.3 --- C^2 [0/1] Largest coeffcient.<br> -------------------------------------------------------------------------------</li> </ol>
An analysis of peak fitting in reference material spectra for calibration of Raman spectroscopy instruments (Dataset)
<p>tbd</p> <p>NeXus format</p>
Supplementary materials to: "SilicH2O: a graphical user interface for processing silicate glass Raman spectra and quantifying H2O"
<p>The dataset contains:</p> <ul> <li>supplementary text and figures as a single pdf</li> <li>Raman and compositional data in two separate excel files</li> </ul> <p> </p>
Raman spectra and SEM EDX analyses of artifacts resembling Ediacaran / Cambrian fossils
<p>This data is related to the paper: "Artifacts resembling Ediacaran / Cambrian fossils: how to identify them and avoid their generation" submitted for publication in the "Journal of Micropaleontology" on March 24, 2023.</p> <p>The reaction between hydrogen peroxide and pyrite can lead to the generation of objects very similar to Ediacaran and Cambrian fossils, such as <em>Cloudina</em>. This dataset and related paper provides criteria to distinguish artifacts from fossils based on their composition and structure. This dataset cotains all the Raman spectra and SEM/EDX analyses of artifacts that characterize them and are used for discussion in the related paper.</p>
Raman spectra for 15 thin films of ZnO and ZnO doped with Sn, Al, Co, Cu
<p>Raman spectra for 15 thin film ZnO and ZnO doped with Sn, Al, Co, Cu received from Dr. Iulia ANTOHE.</p>
Raman spectra and SEM EDX analyses of artifacts resembling Ediacaran / Cambrian fossils
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Dataset for the "Harmonic Infrared and Raman Spectra in Molecular Environments using the Polarizable Embedding Model"
<p>This dataset contains data connected to the article "Harmonic infrared and Raman spectra using a polarizable embedding model".</p>
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