cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.18419/darus-2827/8
title: v2_E1.2.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827/9
title: v2_E1.4.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827/13
title: v2_E6.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827/14
title: v2_E2.4.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827/15
title: v2_E11.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827/16
title: v2_E9.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827/17
title: v2_E5.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827/18
title: v2_E4.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827/19
title: v2_E7.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827/20
title: v2_E10.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.15468/dl.cds7ka
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Lissotriton vulgaris (Linnaeus, 1758)",
 "Year is 3",
 "Country is Netherlands"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006960-241107131044228/datasets/export for details.
DOI: 10.18419/darus-2827/21
title: v2_E8.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827/22
title: v2_E2.2.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827/23
title: v2_E2.8.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-2827
title: Data for: Galvanotaxis of ciliates: Spatiotemporal dynamics of Coleps hirtus under electric fields

description: Time-lapse records observed with a stereo microscope (Stemi 508, Zeiss, Carl Zeiss Microscopy GmbH) equipped with a camera (Axiocam 503, Zeiss, Carl Zeiss Microscopy GmbH). Spatial magnification is set to 20.475× by using a 0.65× zoom, a 63× objective lens and a 0.5× wide angle camera adapter. Time-series were taken by using the ZEN software (ZEN 2.3 lite - blue edition; Carl Zeiss Microscopy GmbH) applying an exposure time of 42 ms and spatial cropping of 1920x400 pixels, which led to a spatiotemporal resolution of 21 frames per seconds and 4.54 μm per pixel. &lt;br&gt;&lt;br&gt;

Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]&lt;br&gt;&lt;br&gt;

Additional information can be found at &lt;a href="https://doi.org/10.1088/1367-2630/ac6c47"&gt;https://doi.org/10.1088/1367-2630/ac6c47L&lt;/a&gt;
DOI: 10.18419/darus-2827/24
title: v2_E2.czi

description: Unprocessed data "v2_EX.czi", where X is the applied electric field in [Volt/cm]
DOI: 10.18419/darus-3180/26
title: ConfigurationGenerator.py

description: Python script
DOI: 10.18419/darus-3180/27
title: atomtypes.atp

description: GROMACS ff file
DOI: 10.18419/darus-3180/28
title: Angle.dat

description: Angle info SO4
DOI: 10.18419/darus-3180/29
title: ffnonbonded.itp

description: GROMACS ff file
DOI: 10.18419/darus-3180/30
title: conf.gro

description: GROMACS configuration file
DOI: 10.18419/darus-3180/34
title: ffbonded.itp

description: GROMACS ff file
DOI: 10.18419/darus-3180/35
title: forcefield.itp

description: GROMACS ff file
DOI: 10.18419/darus-3180/25
title: Position.dat

description: Position info SO4
DOI: 10.18419/darus-3180/31
title: Position.dat

description: NaCl wall positions
DOI: 10.18419/darus-3180/32
title: prodHR.mdp

description: GROMACS input file
DOI: 10.18419/darus-3180/33
title: molecules.rtp

description: GROMACS ff file
DOI: 10.18419/darus-3180/36
title: ConfigurationGenerator.py

description: Python script
DOI: 10.18419/darus-3180/37
title: Bond.dat

description: Bond info SO4
DOI: 10.18419/darus-3180/38
title: topol.top

description: GROMACS topology file
DOI: 10.18419/darus-3180/39
title: topol.top

description: GROMACS topology file
DOI: 10.18419/darus-3180/40
title: ions.itp

description: GROMACS ff file
DOI: 10.18419/darus-3180/41
title: tip4peps.itp

description: GROMACS ff file
DOI: 10.18419/darus-3180/42
title: conf.gro

description: GROMACS configuration file
DOI: 10.15468/dl.d7p4yf
title: Occurrence Download

description: A dataset containing 521 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is India",
 "TaxonKey is Prosopis juliflora (Sw.) DC."
 ]
}

 The dataset includes 521 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006961-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.18419/darus-3180/43
title: README.md
DOI: 10.18419/darus-3180/44
title: npt.mdp

description: GROMACS input file
DOI: 10.18419/darus-3180/45
title: prodLR.mdp

description: GROMACS input file
DOI: 10.18419/darus-3180/46
title: nvt.mdp

description: GROMACS input file
DOI: 10.18419/darus-3180/47
title: runall.sh

description: Bash script
DOI: 10.18419/darus-3180
title: Molecular simulation scripts for slit nanopores

description: GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration with a given salt concentration can be generated using the Python script ConfigurationGenerator.py, and successive GROMACS runs can be performed by running the runall.sh Bash script. See the &lt;a href="https://darus.uni-stuttgart.de/file.xhtml?fileId=198713"&gt;README.md&lt;/a&gt; file.
DOI: 10.18419/darus-3180/48
title: runall.sh

description: Bash script
DOI: 10.18419/darus-3263/11
title: Analysis_RMSD.py

description: Python script to analyse the RMSD of a trajectory to a reference frame. Intentionally used for sMD.
DOI: 10.18419/darus-3263/8
title: Analysis_SN2-Transistion_States.py

description: Python script to analyse the SN2 transition states in a sMD trajectory.
DOI: 10.18419/darus-3263/1
title: Movie 1 - NSD2 T1150A SAM sMD.mp4

description: Example of a successful docking of AdoMet to the NSD2 T1150A – H3K36me2 peptide complex.
DOI: 10.18419/darus-3263/12
title: K36me1_deprot.xml

description: Parameters for monomethylated, deprotonated lysine 36
DOI: 10.18419/darus-3263/3
title: K36me2_deprot.xml

description: Parameters for dimethylated, deprotonated lysine 36
DOI: 10.18419/darus-3263/4
title: NSD2 MD Data 2.xlsx

description: Source data of the results of the MD analysis.
DOI: 10.18419/darus-3263/9
title: K36me0_deprot.xml

description: Parameters for unmethylated, deprotonated lysine 36
DOI: 10.18419/darus-3263/10
title: ZNB.xml

description: Parameters for the Zink-Dummy model.
DOI: 10.18419/darus-3263/2
title: Production_NSD2-T1150A_sMD.py

description: Python script for the production of SAM-enzyme association sMD simulation trajectories.
DOI: 10.18419/darus-3263/5
title: SAM.xml

description: Parameters for the cofactor SAM (AdoMet).
DOI: 10.18419/darus-3263/6
title: Production_NSD2-T1150_complexed_SAM.py

description: Python script for the production of enzyme-SAM complex MD simulation trajectories.
DOI: 10.18419/darus-3263/7
title: Set up and PDBs.pse

description: PDB files used to start the (s)MD simulations.
DOI: 10.18419/darus-3263/13
title: contact_map_explorer.py

description: Python script to analyse the contacts of a trajectory
DOI: 10.18419/darus-3263/14
title: POVME3_input.ini

description: Input parameters for POVME3 volume calculation
DOI: 10.18419/darus-3263/15
title: model_NSD2-WT.pdb
DOI: 10.18419/darus-3263/16
title: H3K36me2.pdb
DOI: 10.18419/darus-3263/17
title: SAM-sMD.pdb
DOI: 10.18419/darus-3263/18
title: model_NSD2-T1150A.pdb
DOI: 10.18419/darus-3263/19
title: H3K36me1.pdb
DOI: 10.18419/darus-3263/20
title: H3K36me0.pdb
DOI: 10.18419/darus-3263/21
title: SAM.pdb
DOI: 10.18419/darus-3263/22
title: Zinc.pdb
DOI: 10.18419/darus-3263/23
title: Suppl. Table 3.xlsx

description: List of differentially expressed genes between OCILY18 (NSD2 T1150A) vs (OCILY1, OCILY7, OCILY10 and DOHH2) (NSD2 WT) with their corresponding Log2 FC and –log10 p-value.
DOI: 10.5281/zenodo.14065129
title: Three-point contact data for "Multi-contact statistics distinguish models of chromosome organization"

description: Three-point contact data for the publication "Multi-contact statistics distinguish models of chromosome organization".
DOI: 10.5281/zenodo.14065130
title: Three-point contact data for "Multi-contact statistics distinguish models of chromosome organization"

description: Three-point contact data for the publication "Multi-contact statistics distinguish models of chromosome organization".
DOI: 10.18419/darus-3263
title: Additional data related to Khella et al.: The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation

description: This data collection contains additional data related to Khella et al.: "The T1150A cancer mutant of the protein lysine methyltransferase NSD2 can introduce H3K36 trimethylation". 
This includes &lt;BR&gt;&lt;ul&gt;

&lt;li&gt;Movie 1: Example of a successful docking of AdoMet to the NSD2 T1150A - H3K36me2 peptide complex&lt;/li&gt;
&lt;li&gt;Modelled structures of NSD2 bound to different peptides and cofactors
&lt;li&gt;Source data of the results of the MD analysis&lt;/li&gt;
&lt;li&gt;MD simulations codes and analysis scripts&lt;/li&gt;
&lt;li&gt;Supplementary Tables&lt;/li&gt;
&lt;/ul&gt;
DOI: 10.18419/darus-3263/24
title: README.pdf

description: Description of the python scripts provided in this repository. Instructions for use, installation and outcome.
DOI: 10.5281/zenodo.14065667
title: Transfemoral hybrid socket brim shapes

description: This dataset was used to develop a standardized hybrid transfemoral socket brim set. The dataset was analysed by measuring the dimensions of the brims, to seek for correlations. The latter was identified using statistical analysis. 

The brims are manufactured by Papenburg Orthopaedics, Ravenstein, The Netherlands.
DOI: 10.5281/zenodo.14065668
title: Transfemoral hybrid socket brim shapes

description: This dataset was used to develop a standardized hybrid transfemoral socket brim set. The dataset was analysed by measuring the dimensions of the brims, to seek for correlations. The latter was identified using statistical analysis. 

The brims are manufactured by Papenburg Orthopaedics, Ravenstein, The Netherlands.
DOI: 10.5281/zenodo.13834912
title: Near misses and accidents at work database 2015-2022

description: Baza danych zawiera informacje na temat zdarzeń potencjalnie wypadkowych i wypadków przy pracy, zarejestrowanych w latach 2015-2022. Każdy rok przechowywany jest w oddzielnym arkuszu.  Dane przechowywanoe są w tabelach dwuwymiarowych, w któych każdy wiersz zawiera informacje na temat zdarzenia niebezpiecznego wraz z unikalnym opisem zdarzenia.
DOI: 10.5281/zenodo.13834913
title: Near misses and accidents at work database 2015-2022

description: Baza danych zawiera informacje na temat zdarzeń potencjalnie wypadkowych i wypadków przy pracy, zarejestrowanych w latach 2015-2022. Każdy rok przechowywany jest w oddzielnym arkuszu.  Dane przechowywanoe są w tabelach dwuwymiarowych, w któych każdy wiersz zawiera informacje na temat zdarzenia niebezpiecznego wraz z unikalnym opisem zdarzenia.
DOI: 10.5281/zenodo.14056055
title: Bibliometric data

description: Meta-data for bibliometric analysis
DOI: 10.5281/zenodo.14056056
title: Bibliometric data

description: Meta-data for bibliometric analysis
DOI: 10.5281/zenodo.14064408
title: Cell crosstalk in a mouse chronic cystitis model disrupts epithelial differentiation and reshapes the urothelium

description: The mice were maintained under standard conditions and cared for according to institutional guidelines for animal care. For H2O2 induced chronic cystitis, under pentobarbital anesthesia, 6-week-old female mice were injected  with 50 µl 1.5% H2O2 via a 24-G polypropylene catheter introduced into the bladder. Control group received injection of distilled water. 14days after the first injection, another injection of H2O2 was given to the mice. 14 days after the second injection, the mice were euthanized an the bladders were collected for further analysis. Single cells were isolated from mouse bladder tissues, including both normal and H2O2-induced cystitis samples. Single-cell suspensions were processed using the 10K Chromium Controller from 10K Genomics in China, following the manufacturer's guidelines. The scRNA-seq libraries were prepared using the Chromium Single-Cell 3'-End V3.1 kit (CG000204 Rev D).
DOI: 10.5281/zenodo.14064409
title: Cell crosstalk in a mouse chronic cystitis model disrupts epithelial differentiation and reshapes the urothelium

description: The mice were maintained under standard conditions and cared for according to institutional guidelines for animal care. For H2O2 induced chronic cystitis, under pentobarbital anesthesia, 6-week-old female mice were injected  with 50 µl 1.5% H2O2 via a 24-G polypropylene catheter introduced into the bladder. Control group received injection of distilled water. 14days after the first injection, another injection of H2O2 was given to the mice. 14 days after the second injection, the mice were euthanized an the bladders were collected for further analysis. Single cells were isolated from mouse bladder tissues, including both normal and H2O2-induced cystitis samples. Single-cell suspensions were processed using the 10K Chromium Controller from 10K Genomics in China, following the manufacturer's guidelines. The scRNA-seq libraries were prepared using the Chromium Single-Cell 3'-End V3.1 kit (CG000204 Rev D).
DOI: 10.18419/darus-3288/2
title: test.zip
DOI: 10.18419/darus-3288/5
title: test.zip
DOI: 10.18419/darus-3288/6
title: test.zip
DOI: 10.18419/darus-3288/12
title: test.zip
DOI: 10.18419/darus-3288/3
title: test.zip
DOI: 10.18419/darus-3288/1
title: train.zip
DOI: 10.18419/darus-3288/10
title: train.zip
DOI: 10.18419/darus-3288/13
title: test.zip
DOI: 10.18419/darus-3288/4
title: train.zip
DOI: 10.18419/darus-3288/7
title: train.zip
DOI: 10.18419/darus-3288/8
title: train.zip
DOI: 10.18419/darus-3288/9
title: train.zip
DOI: 10.18419/darus-3288/11
title: train.zip
DOI: 10.18419/darus-3288/14
title: test.zip
DOI: 10.18419/darus-3288/15
title: train.zip
DOI: 10.18419/darus-3288/16
title: test.zip
DOI: 10.18419/darus-3288/17
title: train.zip
DOI: 10.18419/darus-3288/18
title: train.zip
DOI: 10.18419/darus-3288/19
title: test.zip
DOI: 10.18419/darus-3288/20
title: test.zip
DOI: 10.18419/darus-3288/21
title: train.zip
DOI: 10.18419/darus-3288/22
title: train.zip
DOI: 10.18419/darus-3288/23
title: test.zip
DOI: 10.18419/darus-3288/24
title: test.zip
DOI: 10.18419/darus-3376/1
title: train_cam_data.zip
DOI: 10.18419/darus-3376/2
title: train_disp1_left.zip
DOI: 10.18419/darus-3376/3
title: train_disp1_right.zip
DOI: 10.18419/darus-3376/4
title: train_disp2_FW_left.zip
DOI: 10.18419/darus-3376/5
title: train_disp2_BW_left.zip
DOI: 10.18419/darus-3376/6
title: train_disp2_FW_right.zip
DOI: 10.18419/darus-3376/7
title: train_disp2_BW_right.zip
DOI: 10.18419/darus-3376/8
title: train_flow_BW_left.zip
DOI: 10.18419/darus-3376/9
title: train_flow_FW_left.zip
DOI: 10.18419/darus-3376/10
title: train_maps.zip
DOI: 10.15468/dl.gbr688
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Troglodytes troglodytes (Linnaeus, 1758)",
 "Year is 4",
 "Country is Netherlands"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0006962-241107131044228/datasets/export for details.
DOI: 10.18419/darus-3376/11
title: test_frame_left.zip
DOI: 10.18419/darus-3376/12
title: test_frame_right.zip
DOI: 10.18419/darus-3376/13
title: test_cam_data.zip
DOI: 10.18419/darus-3376/14
title: train_frame_left.zip
DOI: 10.18419/darus-3376/15
title: train_frame_right.zip
DOI: 10.18419/darus-3376/16
title: train_flow_FW_right.zip
DOI: 10.18419/darus-3376/17
title: train_flow_BW_right.zip
DOI: 10.18419/darus-3376/18
title: train_maps.zip
DOI: 10.18419/darus-3376/19
title: train_flow_FW_right.zip
DOI: 10.18419/darus-3376
title: Spring: A High-Resolution High-Detail Dataset and Benchmark for Scene Flow, Optical Flow and Stereo

description: The Spring dataset contains files for scene flow, optical flow and stereo estimation.
For easier handling, we organized them into sub-directories:
&lt;/br&gt;
&lt;i&gt;train&lt;/i&gt; split:
&lt;ul&gt;
&lt;li&gt;&lt;code&gt;train_frame_left.zip&lt;/code&gt;: left camera frames&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_frame_right.zip&lt;/code&gt;: right camera frames&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_disp1_left.zip&lt;/code&gt;: left-to-right disparity in the reference frame&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_disp1_right.zip&lt;/code&gt;: right-to-left disparity in the reference frame&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_disp2_FW_left.zip&lt;/code&gt;: left-to-right disparity in the future/forward target frame&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_disp2_BW_left.zip&lt;/code&gt;: left-to-right disparity in the past/backward target frame&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_disp2_FW_right.zip&lt;/code&gt;: right-to-left disparity in the future/forward target frame&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_disp2_BW_right.zip&lt;/code&gt;: right-to-left disparity in the past/backward target frame&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_flow_FW_left.zip&lt;/code&gt;: left forward optical flow&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_flow_BW_left.zip&lt;/code&gt;: left backward optical flow&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_flow_FW_right.zip&lt;/code&gt;: right forward optical flow&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_flow_BW_right.zip&lt;/code&gt;: right backward optical flow&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_cam_data.zip&lt;/code&gt;: camera data: intrinsics, extrinsics, focal distance&lt;/li&gt;
&lt;li&gt;&lt;code&gt;train_maps.zip&lt;/code&gt;: additional maps: detail, match, rigid, sky&lt;/li&gt;
&lt;/ul&gt;
&lt;i&gt;test&lt;/i&gt; split:
&lt;ul&gt;
&lt;li&gt;&lt;code&gt;test_frame_left.zip&lt;/code&gt;: left camera frames&lt;/li&gt;
&lt;li&gt;&lt;code&gt;test_frame_right.zip&lt;/code&gt;: right camera frames&lt;/li&gt;
&lt;li&gt;&lt;code&gt;test_cam_data.zip&lt;/code&gt;: camera data: intrinsics&lt;/li&gt;
&lt;/ul&gt;
&lt;/br&gt;
File formats:
&lt;ul&gt;
&lt;li&gt;images and maps are given in png format&lt;/li&gt;
&lt;li&gt;optical flow files are given in HDF5 file format and named &lt;code&gt;.flo5&lt;/code&gt;&lt;/li&gt;
&lt;li&gt;disparity files are given in HDF5 file format and named &lt;code&gt;.dsp5&lt;/code&gt;&lt;/li&gt;
&lt;/ul&gt;
For the project website see &lt;a href="https://spring-benchmark.org"&gt;spring-benchmark.org&lt;/a&gt;.
DOI: 10.18419/darus-3376/20
title: train_disp2_FW_right.zip
DOI: 10.18419/darus-2382/1
title: S0_posterior_lnK_chain2_01.h5
DOI: 10.18419/darus-2382/2
title: S0_posterior_lnK_chain1_02.h5
DOI: 10.18419/darus-2382/3
title: S0_posterior_lnK_chain1_03.h5
DOI: 10.18419/darus-2382/4
title: S0_posterior_lnK_chain2_02.h5
DOI: 10.18419/darus-2382/5
title: S0_posterior_lnK_chain1_01.h5
DOI: 10.18419/darus-2382/6
title: S0_steady_state_EnKF.out

description: Replication data of the S0 scenario in the steady state case with an ensemble Kalman Filter.
DOI: 10.18419/darus-2382/10
title: S1_posterior_lnK_chain1_01.h5
DOI: 10.18419/darus-2382/11
title: S2_posterior_lnK_chain2_01.h5
DOI: 10.18419/darus-2382/12
title: S2_posterior_lnK_chain1_02.h5
DOI: 10.18419/darus-2382/13
title: S2_posterior_lnK_chain2_02.h5
DOI: 10.18419/darus-2382/7
title: S1_posterior_lnK_chain1_02.h5
DOI: 10.18419/darus-2382/8
title: S1_posterior_lnK_chain2_02.h5
DOI: 10.18419/darus-2382/9
title: S1_posterior_lnK_chain2_01.h5
DOI: 10.18419/darus-2382/14
title: S2_posterior_lnK_chain1_01.h5
DOI: 10.18419/darus-2382/15
title: S3_posterior_lnK_chain1_02.h5
DOI: 10.5517/ccdc.csd.cc2k4541
title: CCDC 2357492: Experimental Crystal Structure Determination

description: Related Article: Shuang Li, Xia Zhou, Wenjing Dong, Meiru Liu, Wenwen Wang, Zhehui Zhao, Li Zhang, Dezhi Yang, Yang Lu, Guanhua Du|2025|J.Mol.Struct.|1322|140328|doi:10.1016/j.molstruc.2024.140328
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: 10.18419/darus-2382/16
title: S3_posterior_lnK_chain2_02.h5
DOI: 10.5517/ccdc.csd.cc2k4552
title: CCDC 2357493: Experimental Crystal Structure Determination

description: Related Article: Shuang Li, Xia Zhou, Wenjing Dong, Meiru Liu, Wenwen Wang, Zhehui Zhao, Li Zhang, Dezhi Yang, Yang Lu, Guanhua Du|2025|J.Mol.Struct.|1322|140328|doi:10.1016/j.molstruc.2024.140328
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: 10.18419/darus-2382/17
title: S3_posterior_lnK_chain1_01.h5
DOI: 10.5517/ccdc.csd.cc2k4563
title: CCDC 2357494: Experimental Crystal Structure Determination

description: Related Article: Shuang Li, Xia Zhou, Wenjing Dong, Meiru Liu, Wenwen Wang, Zhehui Zhao, Li Zhang, Dezhi Yang, Yang Lu, Guanhua Du|2025|J.Mol.Struct.|1322|140328|doi:10.1016/j.molstruc.2024.140328
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: 10.18419/darus-2382/18
title: S3_posterior_lnK_chain2_01.h5
DOI: 10.18419/darus-2382/19
title: S4_posterior_lnK_chain1_01.h5
DOI: 10.18419/darus-2382/20
title: S4_posterior_lnK_chain2_02.h5
DOI: 10.18419/darus-2382/21
title: Grid position of random observation wells.xlsx
DOI: 10.18419/darus-2382/22
title: S4b_reference_observations.out
DOI: 10.18419/darus-2382/23
title: S01_reference_observations.out
DOI: 10.18419/darus-2382/24
title: S4b_EnKF.out
DOI: 10.18419/darus-2382/25
title: S4_posterior_lnK_chain2_01.h5
DOI: 10.18419/darus-2382/26
title: S4_posterior_lnK_chain1_02.h5
DOI: 10.18419/darus-2382/27
title: S4_posterior_lnK_chain2_03.h5
DOI: 10.18419/darus-2382/28
title: S4_posterior_lnK_chain1_03.h5
DOI: 10.18419/darus-2382/29
title: prior_S0_S1_S3_S4.out
DOI: 10.18419/darus-2382/30
title: prior_S2.out