Alternativer Identifier:
(KITopen-DOI) 10.5445/IR/1000152278
Verwandter Identifier:
-
Ersteller/in:
Becker, Moritz https://orcid.org/0000-0002-0501-9849 [Institut für Mikrostrukturtechnik]
Beitragende:
-
Titel:
RandomShimDB: A subset of the NMR magnet shimming database ShimDB
Weitere Titel:
-
Beschreibung:
(Technical Remarks) # RandomShimDB: A subset of the NMR magnet shimming database ShimDB RandomShimDB is a subset of the NMR magnet shimming database [ShimDB](https://github.com/mobecks/ShimDB) and contains over 15000 instances. Data is aquired on a Spinsolve 80 Carbon spectrometer (Magritek GmbH, Aachen, Germany, www.magritek.com) on 5%vv H2O in D2O and a water solution with CuSO4 (5mmol/L). RandomShimDB is part of "Acquisitions with random shim values enhances AI-driven NMR shimming" by M. Becker et al. [1]. The acquisition procedure was as follows. The manufacturer's automated shimming technique, based on the downhill simplex method, was used to obtain a reference spectrum. Then, the shims X, Y, Z and Z2 were varied. The dataset parameters were obtained by relative offsets from the reference shim values in a range R with weighting W, following Gaussian noise sampling. For each combination, the raw FID, acquisition parameters, and the shim values were stored. | Topic | Parameter | Value | |------------------------|------------------|-----------------------| | Dataset parameters | Shims | X,Y,Z,Z2 | | | Weightings W | [1.2, 1.0, 2.0, 18.0] | | | Shim range R | +/- 50 | | | Sample I | H2O+CuSO4 | | | Sample II | 5vol% H2O in D2O | | | Nr. spectra | {5000,10000} | | Acquisition parameters | Nucleus | 1H | | | Bandwidth | 5 kHz | | | Points | 32768 | | | Repetition time | 2000 ms | | | Phase correction | phi_0 | **We strongly encourage researchers to extend ShimDB with their own subsets to stimulate developments. We offer to include raw data or links to your publications into ShimDB.** ## Files format Each folder in RandomShimDB contains the following files: - data.1d -> the raw FID. - shims.par -> Shim values, where only linear shims are non-zero. - acqu.par -> Acquisition parameters. - proc.par -> Processing parameters. The RandomShimDB root folder also contains the reference starting shims (ReferenceShims.par). ## Data loading We deliver a python script ```utils_IO.py``` alongside [ShimDB](https://github.com/mobecks/ShimDB) to easily load the database into numpy array structure using the [nmrglue packages](https://github.com/jjhelmus/nmrglue)[2]. The following python libraries and packages are required: os, numpy, glob, nmrglue (>= v0.9.dev0) # References [1] M. Becker, S. Lehmkuhl, S. Kesselheim, J. G. Korvink, and M. Jouda, “Acquisitions with random shim values enhance AI-driven NMR shimming,” J. Magn. Reson., p. 107323, 2022, doi: https://doi.org/10.1016/j.jmr.2022.107323. [2] J. J. Helmus and C. P. Jaroniec, “Nmrglue: An open source Python package for the analysis of multidimensional NMR data,” J. Biomol. NMR, vol. 55, no. 4, pp. 355–367, 2013, doi: https://doi.org/10.1007/s10858-013-9718-x.
Schlagworte:
-
Zugehörige Informationen:
-
Sprache:
-
Erstellungsjahr:
Fachgebiet:
Engineering
Objekttyp:
Dataset
Datenquelle:
-
Verwendete Software:
-
Datenverarbeitung:
-
Erscheinungsjahr:
Rechteinhaber/in:
Förderung:
-
Name Speichervolumen Metadaten Upload Aktion

Zugriffe der letzten sechs Monate

Aufrufe der Datenpaket-Seite

209


Downloads des Datenpakets

1


Gesamtstatistik

Zeitraum Aufrufe der Datenpaket-Seite Datenpaket heruntergeladen
Mai 2024 6 0
Apr. 2024 61 0
März 2024 29 0
Feb. 2024 33 0
Jan. 2024 46 1
Dez. 2023 34 0
Vorher 150 0
Gesamt 359 1
Status:
Publiziert
Eingestellt von:
kitopen
Erstellt am:
Archivierungsdatum:
2023-06-22
Archivgröße:
1,9 GB
Archiversteller:
kitopen
Archiv-Prüfsumme:
70112301c1ea00653a2cc6ef518e4a6d (MD5)
Ende des Embargo-Zeitraums:
-