cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.22002/003q0-ykv18
title: Hpylori_dfliQ

description: These are fast tilt series taken on the Krios for dFliM mutant of Helicobacter  .  pylori.
description: <strong>Tilt Series Date:</strong> 2019-11-19</p>
<strong>Data Taken By:</strong> Mohammed Kaplan</p>
<strong>Species / Specimen:</strong> Helicobacter pylori</p>
<strong>Strain:</strong> 26695</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 3°, constant angular increment, dosage: 120.0 eV/Å²,  defocus: -6.0 μm,  magnification: 19500x. </p>
<strong>Microscope:</strong> Caltech Titan Krios</p>
<strong>Acquisition Software:</strong> Serial EM</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> I received these cells from Carrie Schaffer from the university of Kentucky. These are wild type cells but they don't express complete FliP protein. Therefore, they don't . assemble full flagella. We knocked out FliQ protein of the flagellar motor to study the early assembly states of flagellar motor.</p>
<strong>Purification / Growth Conditions / Treatment:</strong> I grew the cells on blood agar plates from -80 stock at 37C with 5% CO2. The cells were grown for 48 hours and then spread on a new plate with a cotton swab and left to grow for 24 hours. . The grids . were prepared from both batches (48 hours, and 24 hours, separately).</p>
<strong>Sample Preparation:</strong> The samples were prepared with Vitrobot IV. Blotting conditions were either: blot force 6, blot, time 3, drain time 1 OR blot force -3, blot time 4, drain time 1, 100% humidity. Cu grids. . 10 nm gold.</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-11-19-93/rawdata/</p>Hpylori_dfliQ_093_af.mrc,  Tilt Series (Pixel Size 0.449 nm), 1.9 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-11-19-93/rawdata/Hpylori_dfliQ_093_af.mrc"
        > <i class="download icon"></i> Download </a></p>

        Hpylori_dfliQ_093_af_full.rec,  Reconstruction (Pixel Size 1.796 nm), 737.3 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-11-19-93/3dimage_108871/Hpylori_dfliQ_093_af_full.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.5281/zenodo.16901590
title: Collective Spectral Library

description: The Collective Spectral Library (CSL) is a database containing a collection of reference spectra generated using high-resolution tandem mass spectrometry (HRMS²).

The CSL is built collaboratively and currently includes reference spectra provided by:



Federal Institute of Hydrology (Bundesanstalt für Gewässerkunde, BfG), Koblenz, Germany

Bavarian Environment Agency (Bayerisches Landesamt für Umwelt, LfU Bayern), Augsburg, Germany

German Environment Agency (Umweltbundesamt, UBA), Berlin, Germany


The CSL enables retrospective screening of environmental samples as part of Non-Target Screening (NTS) efforts. It is integrated into the open analysis workflow ntsworkflow [1], which supports matching of experimental MS² data with verified reference spectra. It is also connected to NTSPortal [2], a platform for processing, archiving and visualizing NTS data to support the identification and assessment of trace contaminants in surface waters.

We continuously expand the CSL to improve its utility, for instance in the retrospective analysis of historical data in NTSPortal.

For more information or to contribute spectral reference data feel free to contact us at ntsportal@bafg.de.

References

[1] Jewell, K. S., et al. (2020). Rapid Commun. Mass Spectrom., 34, e8541. https://doi.org/10.1002/rcm.8541[2] Jewell, K. S., et al. (2025). Online-Portal „Non-Target Screening für die Umweltüberwachung der Zukunft“, Umweltbundesamt, Dessau-Roßlau. https://www.umweltbundesamt.de/sites/default/files/medien/11850/publikationen/21_2025_texte.pdf

 

Files

CSL_v<version>.db - The SQLite database containing all reference spectra and related records.

thermo-CSLv<version>-<export_date>.msp - All reference spectra exported in MSP/NIST format. This format is readable by software such as mzVault (tested with mzVault Version 2.3 SP1, Thermo Fisher Scientific).

er-diagram-CSLv<version>.png - Entity-Relationship diagram of the CSL database structure.

CSL-data-dictionary.xlsx - Data dictionary providing detailed descriptions of all columns in each table.
DOI: 10.22002/fqwkq-9m662
title: Helicobacter_pylori_dFliG

description: These are H. pylori cells that don't have a complete FliP. In addition, FliG was knocked out in  .  these cells. The aim is to study the assembly of the flagellar motor and the core complex.
description: <strong>Tilt Series Date:</strong> 2019-09-24</p>
<strong>Data Taken By:</strong> Mohammed Kaplan</p>
<strong>Species / Specimen:</strong> Helicobacter pylori</p>
<strong>Strain:</strong> 26695</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-50.0°, 50.0°), step: 2°, constant angular increment, dosage: 130.0 eV/Å²,  defocus: -8.0 μm,  magnification: 19500x. </p>
<strong>Microscope:</strong> Caltech Titan Krios</p>
<strong>Acquisition Software:</strong> Serial EM</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> I received these cells from Carrie Schaffer from the university of Kentucky. These are wild . type cells but they don't express complete FliP protein. Therefore, they don't assemble full . flagella. We knocked out Flip protein of the flagellar motor to study the early assembly states . of flagellar motor.</p>
<strong>Purification / Growth Conditions / Treatment:</strong> I grew the cells on blood agar plates from -80 stock at 37C with 5% CO2. the cells were grown . for 48 hours and then spread on a new plate with a cotton swab and left to grow for 24 hours. . The grids were prepared from both batches (48 hours, and 24 hours, separately).</p>
<strong>Sample Preparation:</strong> The samples were prepared with Vitrobot IV. Blotting conditions were either: blot force 6, blot . time 3, drain time 1 OR blot force -3, blot time 4, drain time 1. 100% humidity. Cu grids. 10 nm . gold.</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-09-24-86/rawdata/</p>Hpylori_dFliG39_good.mrc,  Tilt Series (Pixel Size 0.4494 nm), 2.4 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-09-24-86/rawdata/Hpylori_dFliG39_good.mrc"
        > <i class="download icon"></i> Download </a></p>

        Hpylori_dFliG39_good_full.rec,  Reconstruction (Pixel Size 1.7976 nm), 737.3 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-09-24-86/3dimage_106464/Hpylori_dFliG39_good_full.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.22002/j056r-j9y77
title: H_pylori_dFliO_GC

description: These are fast tilt series taken by Georges Chreifi on the Krios for dFliO mutant of Helicobacter  .  pylori.
description: <strong>Tilt Series Date:</strong> 2019-10-25</p>
<strong>Data Taken By:</strong> Mohammed Kaplan</p>
<strong>Species / Specimen:</strong> Helicobacter pylori</p>
<strong>Strain:</strong> 26695</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 3°, constant angular increment, dosage: 130.0 eV/Å²,  defocus: -6.0 μm,  magnification: 19500x. </p>
<strong>Microscope:</strong> Caltech Titan Krios</p>
<strong>Acquisition Software:</strong> Serial EM</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> I received these cells from Carrie Schaffer from the university of Kentucky. These are wild . . type cells but they don't express complete FliP protein. Therefore, they don't assemble full . . flagella. We knocked out FliO protein of the flagellar motor to study the early assembly states . of flagellar motor.</p>
<strong>Purification / Growth Conditions / Treatment:</strong> I grew the cells on blood agar plates from -80 stock at 37C with 5% CO2. the cells were grown . . for 48 hours and then spread on a new plate with a cotton swab and left to grow for 24 hours. . . The grids were prepared from both batches (48 hours, and 24 hours, separately).</p>
<strong>Sample Preparation:</strong> The samples were prepared with Vitrobot IV. Blotting conditions were either: blot force 6, blot . . time 3, drain time 1 OR blot force -3, blot time 4, drain time 1, 100% humidity. Cu grids. 10 nm . . gold.</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-10-25-131/rawdata/</p>Hpylori_FliO_133_af.mrc,  Tilt Series (Pixel Size 0.449 nm), 3.5 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-10-25-131/rawdata/Hpylori_FliO_133_af.mrc"
        > <i class="download icon"></i> Download </a></p>

        Hpylori_FliO_133_af_part37_6.rec,  Reconstruction (Pixel Size 1.796 nm), 737.3 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-10-25-131/3dimage_107493/Hpylori_FliO_133_af_part37_6.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.22002/4m9f1-6d233
title: E_coli_EPEC_8612

description: The aim is to look for bacterial nanotubes (See Pal et al., 2019 Cell)
description: <strong>Tilt Series Date:</strong> 2020-02-13</p>
<strong>Data Taken By:</strong> Mohammed Kaplan</p>
<strong>Species / Specimen:</strong> Escherichia coli</p>
<strong>Strain:</strong> 8612, EPEC Δrof1-escLΔrof3-mpcΔescN-espFΔflhBAΔfliOPQRΔminCD</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 3°, constant angular increment, dosage: 105.0 eV/Å²,  defocus: -6.0 μm,  magnification: 19500x. </p>
<strong>Microscope:</strong> Caltech Titan Krios</p>
<strong>Acquisition Software:</strong> Serial EM</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> These cells were obtained from Ritesh (Ilan Rosenshine lab) and Amit (Sigal ben Yehuda lab, . both from the Hebrew university). They were present during sample preparation.</p>
<strong>Purification / Growth Conditions / Treatment:</strong> An overnight culture from -80C stock was made in 2ml LB and was grown at 37C in static . conditions. The next day, 1 ml of cells were spun down at 4000 rpm for six minutes and . concentrated 10 times. 3 ul of cells were spotted on glow-discharged grids located on a . DMEM high-glucose agar plates (1.5% agar) for 3 hours. Then, the grids were washed twice . in PBS and transferred to a starvation-medium agar plates (Starvation medium:DMEM without . phenol red, vitamins and amino acids). and incubated for 1 hour at 37C. Subsequently,the . samples were washed with PBS and plunge-frozen. </p>
<strong>Sample Preparation:</strong> The samples were hold with a tweezer from the starvation plates and washed with PBS. Blotted . with different conditions (B</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2020-02-13-4/rawdata/</p>EPEC_8612_002_af.mrc,  Tilt Series (Pixel Size 0.449 nm), 1.8 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2020-02-13-4/rawdata/EPEC_8612_002_af.mrc"
        > <i class="download icon"></i> Download </a></p>

        EPEC_8612_002_af_full.rec,  Reconstruction (Pixel Size 1.796 nm), 737.3 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2020-02-13-4/3dimage_110832/EPEC_8612_002_af_full.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.22002/x2h06-a0536
title: Hpylori_dfliG

description: These are H. pylori cells that don't have a complete FliP. In addition, FliG was knocked out in  .  these cells. The aim is to study the assembly of the flagellar motor and the core complex.
description: <strong>Tilt Series Date:</strong> 2019-11-23</p>
<strong>Data Taken By:</strong> Mohammed Kaplan</p>
<strong>Species / Specimen:</strong> Helicobacter pylori</p>
<strong>Strain:</strong> 26695</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 3°, constant angular increment, dosage: 120.0 eV/Å²,  defocus: -8.0 μm,  magnification: 19500x. </p>
<strong>Microscope:</strong> Caltech Titan Krios</p>
<strong>Acquisition Software:</strong> Serial EM</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> I received these cells from Carrie Schaffer from the university of Kentucky. These are wild type cells but they don't express complete FliP protein. Therefore, they don't assemble full . flagella. We knocked out FliG protein of the flagellar motor to study the early assembly states of flagellar motor.</p>
<strong>Purification / Growth Conditions / Treatment:</strong> I grew the cells on blood agar plates from -80 stock at 37C with 5% CO2. the cells were grown . for 48 hours and then spread on a new plate with a cotton swab and left to grow for 24 hours. . The grids were prepared from both batches (48 hours, and 24 hours, separately).</p>
<strong>Sample Preparation:</strong> The samples were prepared with Vitrobot IV. Blotting conditions were either: blot force 6, blot . time 3, drain time 1 OR blot force -3, blot time 4, drain time 1. 100% humidity. Cu grids. 10 nm . gold.</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-11-23-28/rawdata/</p>Hpylori_dfliG_021_af.mrc,  Tilt Series (Pixel Size 0.449 nm), 1.9 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-11-23-28/rawdata/Hpylori_dfliG_021_af.mrc"
        > <i class="download icon"></i> Download </a></p>

        Hpylori_dfliG_021_af_full.rec,  Reconstruction (Pixel Size 1.796 nm), 737.3 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-11-23-28/3dimage_109393/Hpylori_dfliG_021_af_full.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.22002/ctgkb-pe344
title: Ecoli_EPEC_8612

description: Bacterial nanotubes as described by the work of Ilan Rosenshine and Sigal Ben Yehuda labs at  .  the Hebrew university).
description: <strong>Tilt Series Date:</strong> 2020-02-14</p>
<strong>Data Taken By:</strong> Mohammed Kaplan</p>
<strong>Species / Specimen:</strong> Escherichia coli</p>
<strong>Strain:</strong> 8612, EPEC Δrof1-escLΔrof3-mpcΔescN-espFΔflhBAΔfliOPQRΔminCD</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 3°, constant angular increment, dosage: 120.0 eV/Å²,  defocus: -6.0 μm,  magnification: 19500x. </p>
<strong>Microscope:</strong> Caltech Titan Krios</p>
<strong>Acquisition Software:</strong> Serial EM</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> These cells were obtained from Ritesh (Ilan Rosenshine lab) and Amit (Sigal ben Yehuda lab, . both from the Hebrew university). They were present during sample preparation.</p>
<strong>Purification / Growth Conditions / Treatment:</strong> An overnight culture from -80C stock was made in 2ml LB and was grown at 37C in static conditions. The next day, 1 ml of cells were spun down at 4000 rpm for six minutes and . concentrated 10 times. 3 ul of cells were spotted on glow-. discharged grids located on a DMEM high-glucose agar plates (1.5% agar) for 3 hours. Then, the grids were washed twice in PBS and transferred to a starvation-medium agar plates (Starvation medium:DMEM without phenol red, vitamins and . amino acids) and incubated for 1 hour at 37C. Subsequently, the samples were washed with PBS and plunge-frozen.</p>
<strong>Sample Preparation:</strong> The samples were hold with a tweezer from the starvation plates and washed with PBS. Blotted . . with different conditions (B</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2020-02-14-23/rawdata/</p>EPEC_8612_123_af.mrc,  Tilt Series (Pixel Size 0.449 nm), 1.9 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2020-02-14-23/rawdata/EPEC_8612_123_af.mrc"
        > <i class="download icon"></i> Download </a></p>

        EPEC_8612_123_af_full.rec,  Reconstruction (Pixel Size 1.796 nm), 737.3 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2020-02-14-23/3dimage_111093/EPEC_8612_123_af_full.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.22002/wngkj-yrv87
title: E_coli_EPEC_8730

description: The aim is to look for bacterial nanotubes. This strain (8730) has the conjugation pilus, the core  .  but it lacks the bundle-forming pilus.
description: <strong>Tilt Series Date:</strong> 2020-02-26</p>
<strong>Data Taken By:</strong> Mohammed Kaplan</p>
<strong>Species / Specimen:</strong> Escherichia coli</p>
<strong>Strain:</strong> 8730, EPEC 8612 + Δbfp</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 3°, constant angular increment, dosage: 115.0 eV/Å²,  defocus: -6.0 μm,  magnification: 19500x. </p>
<strong>Microscope:</strong> Caltech Titan Krios</p>
<strong>Acquisition Software:</strong> Serial EM</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> Samples were prepared with Amit and Ritesh (from Ilan Rosenshine and Sigal ben Yehuda labs . at the Hebrew university).</p>
<strong>Purification / Growth Conditions / Treatment:</strong>  An overnight culture from a pre-prepared agar LB plate was made in 2ml LB and was grown at 37C in static conditions. The next day, 1 ml of cells were spun down at 4000 rpm for six minutes and concentrated 10 times. 3 ul of cells . were spotted on glow- discharged grids located on a DMEM high-glucose agar plates (1.5% agar) for 3 hours. Then, the grids were washed twice in PBS and transferred to a starvation-medium agar plates (Starvation medium:DMEM . without phenol red, vitamins and amino acids) and incubated for 1 hour at 37C. Subsequently, the samples were washed with PBS and plunge-frozen.</p>
<strong>Sample Preparation:</strong> Samples were washed with PBS before blotting. Subsequently, the samples were automatically . blotted and plunge-frozen.</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2020-02-26-125/rawdata/</p>EPEC_8730_030.mrc,  Tilt Series (Pixel Size 0.449 nm), 1.9 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2020-02-26-125/rawdata/EPEC_8730_030.mrc"
        > <i class="download icon"></i> Download </a></p>

        EPEC_8730_030_part41_11.rec,  Reconstruction (Pixel Size 1.796 nm), 737.3 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2020-02-26-125/3dimage_111964/EPEC_8730_030_part41_11.rec"
        > <i class="download icon"></i> Download </a></p>
DOI: 10.22002/h0r5g-vpt57
title: H-pylori_dFliM_GC

description: These are fast tilt series taken by Georges Chreifi on the Krios for dFliM mutant of Helicobacter  .  pylori.
description: <strong>Tilt Series Date:</strong> 2019-10-28</p>
<strong>Data Taken By:</strong> Mohammed Kaplan</p>
<strong>Species / Specimen:</strong> Helicobacter pylori</p>
<strong>Strain:</strong> 26695</p>
<strong>Tilt Series Settings:</strong>  Single Axis, tilt range: (-60.0°, 60.0°), step: 3°, constant angular increment, dosage: 130.0 eV/Å²,  defocus: -6.0 μm,  magnification: 19500x. </p>
<strong>Microscope:</strong> Caltech Titan Krios</p>
<strong>Acquisition Software:</strong> Serial EM</p>
<strong>Upload Method:</strong> pipeline</p>
<strong>Processing Software Used:</strong> Raptor</p>
<strong>Collaborators and Roles:</strong> I received these cells from Carrie Schaffer from the university of Kentucky. These are wild type cells but they . don't express complete FliP protein. Therefore, they don't assemble full flagella. We knocked out FliM protein . of the flagellar motor to study the early assembly states of flagellar motor.</p>
<strong>Purification / Growth Conditions / Treatment:</strong> I grew the cells on blood agar plates from -80 stock at 37C with 5% CO2. the cells were grown . for 48 hours and then spread on a new plate with a cotton swab and left to grow for 24 hours. . The grids were prepared from both batches (48 hours, and 24 hours, separately).</p>
<strong>Sample Preparation:</strong> The samples were prepared with Vitrobot IV. Blotting conditions were either: blot force 6, blot . time 3, drain time 1 OR blot force -3, blot time 4, drain time 1, 100% humidity. Cu grids. 10 nm . gold.</p>
description: Files available via S3 at https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-10-28-205/rawdata/</p>Hpylori_FliM_207_af.mrc,  Tilt Series (Pixel Size 0.449 nm), 3.9 GB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-10-28-205/rawdata/Hpylori_FliM_207_af.mrc"
        > <i class="download icon"></i> Download </a></p>

        Hpylori_FliM_207_af_full.rec,  Reconstruction (Pixel Size 1.796 nm), 737.3 MB  
        
<a role="button" class="ui compact mini button" href="https://sdsc.osn.xsede.org/ini210004tommorrell/tomography_archive/mka2019-10-28-205/3dimage_108051/Hpylori_FliM_207_af_full.rec"
        > <i class="download icon"></i> Download </a></p>