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cleaned info and metadata
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- added dataset sources, method type
- cleaned gradient files
- added general flowrate from gradient files where possible
- adapted missing information
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f-kretschmer committed Oct 15, 2024
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4 changes: 2 additions & 2 deletions processed_data/0393/0393_info.tsv
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0393 10.1016/j.jpba.2012.10.024 Submitted by Fangyuan Sun Meng-Hua Liu, Xin Tong, Jin-Xu Wang, Wei Zou, Hui Cao, Wei-Wei Su SQFZ_injection
id url source comment authors name missing information mail method.type
0393 10.1016/j.jpba.2012.10.024 Publication - Liu Submitted by Fangyuan Sun Meng-Hua Liu, Xin Tong, Jin-Xu Wang, Wei Zou, Hui Cao, Wei-Wei Su SQFZ_injection RP
4 changes: 2 additions & 2 deletions processed_data/0394/0394_info.tsv
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0394 PredRet Submitted by Fangyuan Sun ACQUITY_UPLC_HSSC18_QTOF_20min temperature, column id, column length, column particle size
id url source comment authors name missing information mail method.type
0394 PredRet Submitted by Fangyuan Sun ACQUITY_UPLC_HSSC18_QTOF_20min temperature, column id, column length, column particle size RP
4 changes: 2 additions & 2 deletions processed_data/0395/0395_info.tsv
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0395 Dr. Xiaozhuo Chen ST001610 Submitted from Fangyuan Sun.
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0395 Dr. Xiaozhuo Chen ST001610 Submitted from Fangyuan Sun. RP
4 changes: 2 additions & 2 deletions processed_data/0396/0396_info.tsv
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0396 10.1016/j.chroma.2013.03.006 Submitted by Fangyuan Sun Alessandro Musenga, David A. Cowan ROASMI_55
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0396 10.1016/j.chroma.2013.03.006 Publication - Musenga Submitted by Fangyuan Sun Alessandro Musenga, David A. Cowan ROASMI_55 RP
4 changes: 2 additions & 2 deletions processed_data/0397/0397_info.tsv
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0397 10.1016/j.phytochem.2014.10.005 Submitted by Fangyuan Sun Philippe J. Eugster, Julien Boccard, Benjamin Debrus, Lise Bréant, Jean-Luc Wolfender, Sophie Martel, Pierre-Alain Carrupt ROASMI_68
id url source comment authors name missing information mail method.type
0397 10.1016/j.phytochem.2014.10.005 Publication - Eugster Submitted by Fangyuan Sun Philippe J. Eugster, Julien Boccard, Benjamin Debrus, Lise Bréant, Jean-Luc Wolfender, Sophie Martel, Pierre-Alain Carrupt ROASMI_68 RP
4 changes: 2 additions & 2 deletions processed_data/0398/0398_info.tsv
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0398 10.1016/j.chroma.2011.01.060 Submitted by Fangyuan Sun David R. Baker a, Barbara Kasprzyk-Hordern ROASMI_19
id url source comment authors name missing information mail method.type
0398 10.1016/j.chroma.2011.01.060 Publication - Baker Submitted by Fangyuan Sun David R. Baker, Barbara Kasprzyk-Hordern ROASMI_19 RP
4 changes: 2 additions & 2 deletions processed_data/0399/0399_info.tsv
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0399 10.1016/j.chroma.2012.12.030 Submitted by Fangyuan Sun R. Diaz, M. Ibáñez, J.V. Sancho, F. Hernández ROASMI_52
id url source comment authors name missing information mail method.type
0399 10.1016/j.chroma.2012.12.030 Publication - Diaz Submitted by Fangyuan Sun R. Diaz, M. Ibáñez, J.V. Sancho, F. Hernández ROASMI_52 RP
4 changes: 2 additions & 2 deletions processed_data/0400/0400_info.tsv
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0400 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_79
id url source comment authors name missing information mail method.type
0400 10.1038/s41586-021-03707-9 Publication - Han Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_79 RP
4 changes: 2 additions & 2 deletions processed_data/0401/0401_info.tsv
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0401 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_80
id url source comment authors name missing information mail method.type
0401 10.1038/s41586-021-03707-9 Publication - Han Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_80 RP
4 changes: 2 additions & 2 deletions processed_data/0402/0402_info.tsv
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0402 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_81
id url source comment authors name missing information mail method.type
0402 10.1038/s41586-021-03707-9 Publication - Han Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_81 RP
4 changes: 2 additions & 2 deletions processed_data/0403/0403_info.tsv
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0403 10.1038/s41586-021-03707-9 Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_82
id url source comment authors name missing information mail method.type
0403 10.1038/s41586-021-03707-9 Publication - Han Submitted by Fangyuan Sun Shuo Han, Will Van Treuren, Curt R. Fischer, Bryan D. Merrill, Brian C. DeFelice, Juan M. Sanchez, Steven K. Higginbottom, Leah Guthrie, Lalla A. Fall, Dylan Dodd, Michael A. Fischbach & Justin L. Sonnenburg ROASMI_82 RP
4 changes: 2 additions & 2 deletions processed_data/0404/0404_info.tsv
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0404 10.1016/j.chroma.2015.03.063 Submitted by Fangyuan Sun Kelly Munro, Thomas H. Miller, Claudia P.B. Martins , Anthony M. Edge , David A. Cowan, Leon P. Barron ROASMI_49
id url source comment authors name missing information mail method.type
0404 10.1016/j.chroma.2015.03.063 Publication - Munro Submitted by Fangyuan Sun Kelly Munro, Thomas H. Miller, Claudia P.B. Martins , Anthony M. Edge , David A. Cowan, Leon P. Barron ROASMI_49 RP
4 changes: 2 additions & 2 deletions processed_data/0405/0405_info.tsv
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0405 10.1038/s41596-020-0341-5 Submitted by Fangyuan Sun Fujian Zheng, Xinjie Zhao, Zhongda Zeng, Lichao Wang, Wangjie Lv, Qingqing Wang & Guowang Xu ROASMI_51
id url source comment authors name missing information mail method.type
0405 10.1038/s41596-020-0341-5 Publication - Zheng Submitted by Fangyuan Sun Fujian Zheng, Xinjie Zhao, Zhongda Zeng, Lichao Wang, Wangjie Lv, Qingqing Wang & Guowang Xu ROASMI_51 RP
4 changes: 2 additions & 2 deletions processed_data/0406/0406_info.tsv
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0406 10.1016/j.jpba.2015.06.020 Submitted by Fangyuan Sun Zhenzuo Jiang, Yuefei Wang , Yan Zhu , Lei Zhang , Xin Chai, Miaomiao Jiang, Lihua Shan ROASMI_7
id url source comment authors name missing information mail method.type
0406 10.1016/j.jpba.2015.06.020 Publication - Jiang Submitted by Fangyuan Sun Zhenzuo Jiang, Yuefei Wang, Yan Zhu, Lei Zhang, Xin Chai, Miaomiao Jiang, Lihua Shan ROASMI_7 RP
4 changes: 2 additions & 2 deletions processed_data/0407/0407_info.tsv
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0407 10.1021/acs.jafc.0c00879 Submitted by Fangyuan Sun Panagiotis Arapitsas,Maurizio Ugliano,Matteo Marangon,Paola Piombino,Luca Rolle,Vincenzo Gerbi,Andrea Versari,Fulvio Mattivi ROASMI_33
id url source comment authors name missing information mail method.type
0407 10.1021/acs.jafc.0c00879 Publication - Arapitsas Submitted by Fangyuan Sun Panagiotis Arapitsas, Maurizio Ugliano, Matteo Marangon, Paola Piombino, Luca Rolle, Vincenzo Gerbi, Andrea Versari, Fulvio Mattivi ROASMI_33 RP
4 changes: 2 additions & 2 deletions processed_data/0408/0408_info.tsv
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0408 10.1007/s00216-013-6954-6 Submitted by Fangyuan Sun Stanstrup, J., Gerlich, M., Dragsted, L.O. et al ROASMI_43 column temperature and flowrate
id url source comment authors name missing information mail method.type
0408 10.1007/s00216-013-6954-6 Publication - Stanstrup Submitted by Fangyuan Sun Stanstrup, J., Gerlich, M., Dragsted, L.O. et al ROASMI_43 column temperature and flowrate RP
4 changes: 2 additions & 2 deletions processed_data/0409/0409_info.tsv
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0409 10.1016/j.scitotenv.2015.09.145 Submitted by Fangyuan Sun Nikiforos A. Alygizakis, Pablo Gago-Ferrero, Viola L. Borova, Alexandra Pavlidou, Ioannis Hatzianestis, Nikolaos S. Thomaidis ROASMI_46 column.temperature
id url source comment authors name missing information mail method.type
0409 10.1016/j.scitotenv.2015.09.145 Publication - Alygizakis Submitted by Fangyuan Sun Nikiforos A. Alygizakis, Pablo Gago-Ferrero, Viola L. Borova, Alexandra Pavlidou, Ioannis Hatzianestis, Nikolaos S. Thomaidis ROASMI_46 column.temperature RP
4 changes: 2 additions & 2 deletions processed_data/0410/0410_info.tsv
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0410 10.1007/s00216-015-8540-6 Submitted by Fangyuan Sun Gago-Ferrero, P., Borova, V., Dasenaki, M.E. et al ROASMI_30 column temperature
id url source comment authors name missing information mail method.type
0410 10.1007/s00216-015-8540-6 Publication - Gago-Ferrero Submitted by Fangyuan Sun Gago-Ferrero, P., Borova, V., Dasenaki, M.E. et al ROASMI_30 column temperature RP
4 changes: 2 additions & 2 deletions processed_data/0411/0411_info.tsv
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0411 10.1016/j.foodchem.2018.11.056 Submitted by Fangyuan Sun Wei Jia, Lin Shi, Feng Zhang, Cheng Fan, James Chang, Xiaogang Chu ROASMI_18
id url source comment authors name missing information mail method.type
0411 10.1016/j.foodchem.2018.11.056 Publication - Jia Submitted by Fangyuan Sun Wei Jia, Lin Shi, Feng Zhang, Cheng Fan, James Chang, Xiaogang Chu ROASMI_18 RP
4 changes: 2 additions & 2 deletions processed_data/0412/0412_info.tsv
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0412 10.1016/j.foodchem.2015.11.070 Submitted by Fangyuan Sun Gerardo Martínez-Domínguez, Roberto Romero-González, Antonia Garrido Frenich ROASMI_61
id url source comment authors name missing information mail method.type
0412 10.1016/j.foodchem.2015.11.070 Publication - Martínez-Domínguez Submitted by Fangyuan Sun Gerardo Martínez-Domínguez, Roberto Romero-González, Antonia Garrido Frenich ROASMI_61 RP
4 changes: 2 additions & 2 deletions processed_data/0413/0413_info.tsv
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0413 10.1016/j.jpba.2019.06.042 Submitted by Fangyuan Sun Gregorio Peron, Jan Hošek, Sangeeta Rajbhandary, Deepak Raj Pant, Stefano Dall’Acqua ROASMI_6 column temperature
id url source comment authors name missing information mail method.type
0413 10.1016/j.jpba.2019.06.042 Publication - Peron Submitted by Fangyuan Sun Gregorio Peron, Jan Hošek, Sangeeta Rajbhandary, Deepak Raj Pant, Stefano Dall’Acqua ROASMI_6 column temperature RP
4 changes: 2 additions & 2 deletions processed_data/0414/0414_info.tsv
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0414 10.1016/j.chroma.2014.05.003 Submitted by Fangyuan Sun José Robles-Molina, Felipe J. Lara-Ortega, Bienvenida Gilbert-López, Juan F. García-Reyes, Antonio Molina-Díaz ROASMI_67 column temperature
id url source comment authors name missing information mail method.type
0414 10.1016/j.chroma.2014.05.003 Publication - Robles-Molina Submitted by Fangyuan Sun José Robles-Molina, Felipe J. Lara-Ortega, Bienvenida Gilbert-López, Juan F. García-Reyes, Antonio Molina-Díaz ROASMI_67 column temperature RP
4 changes: 2 additions & 2 deletions processed_data/0415/0415_info.tsv
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0415 10.1016/j.chroma.2015.11.014 Submitted by Fangyuan Sun Gudrun Nürenberg, Manoj Schulz, Uwe Kunkel, Thomas A. Ternes ROASMI_83
id url source comment authors name missing information mail method.type
0415 10.1016/j.chroma.2015.11.014 Publication - Nürenberg Submitted by Fangyuan Sun Gudrun Nürenberg, Manoj Schulz, Uwe Kunkel, Thomas A. Ternes ROASMI_83 RP
4 changes: 2 additions & 2 deletions processed_data/0416/0416_info.tsv
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0416 10.1038/s41592-019-0358-2 Submitted by Fangyuan Sun Tsugawa, H., Nakabayashi, R., Mori, T. et al ROASMI_37 Flowrate:0.3-0.4
id url source comment authors name missing information mail method.type
0416 10.1038/s41592-019-0358-2 Publication - Tsugawa Submitted by Fangyuan Sun Tsugawa, H., Nakabayashi, R., Mori, T. et al ROASMI_37 RP
2 changes: 1 addition & 1 deletion processed_data/0416/0416_metadata.tsv
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id column.name column.usp.code column.length column.id column.particle.size column.temperature column.flowrate column.t0 eluent.A.h2o eluent.A.meoh eluent.A.acn eluent.A.iproh eluent.A.acetone eluent.A.hex eluent.A.chcl3 eluent.A.ch2cl2 eluent.A.hept eluent.A.formic eluent.A.formic.unit eluent.A.acetic eluent.A.acetic.unit eluent.A.trifluoroacetic eluent.A.trifluoroacetic.unit eluent.A.phosphor eluent.A.phosphor.unit eluent.A.nh4ac eluent.A.nh4ac.unit eluent.A.nh4form eluent.A.nh4form.unit eluent.A.nh4carb eluent.A.nh4carb.unit eluent.A.nh4bicarb eluent.A.nh4bicarb.unit eluent.A.nh4f eluent.A.nh4f.unit eluent.A.nh4oh eluent.A.nh4oh.unit eluent.A.trieth eluent.A.trieth.unit eluent.A.triprop eluent.A.triprop.unit eluent.A.tribut eluent.A.tribut.unit eluent.A.nndimethylhex eluent.A.nndimethylhex.unit eluent.A.medronic eluent.A.medronic.unit eluent.A.pH eluent.B.h2o eluent.B.meoh eluent.B.acn eluent.B.iproh eluent.B.acetone eluent.B.hex eluent.B.chcl3 eluent.B.ch2cl2 eluent.B.hept eluent.B.formic eluent.B.formic.unit eluent.B.acetic eluent.B.acetic.unit eluent.B.trifluoroacetic eluent.B.trifluoroacetic.unit eluent.B.phosphor eluent.B.phosphor.unit eluent.B.nh4ac eluent.B.nh4ac.unit eluent.B.nh4form eluent.B.nh4form.unit eluent.B.nh4carb eluent.B.nh4carb.unit eluent.B.nh4bicarb eluent.B.nh4bicarb.unit eluent.B.nh4f eluent.B.nh4f.unit eluent.B.nh4oh eluent.B.nh4oh.unit eluent.B.trieth eluent.B.trieth.unit eluent.B.triprop eluent.B.triprop.unit eluent.B.tribut eluent.B.tribut.unit eluent.B.nndimethylhex eluent.B.nndimethylhex.unit eluent.B.medronic eluent.B.medronic.unit eluent.B.pH eluent.C.h2o eluent.C.meoh eluent.C.acn eluent.C.iproh eluent.C.acetone eluent.C.hex eluent.C.chcl3 eluent.C.ch2cl2 eluent.C.hept eluent.C.formic eluent.C.formic.unit eluent.C.acetic eluent.C.acetic.unit eluent.C.trifluoroacetic eluent.C.trifluoroacetic.unit eluent.C.phosphor eluent.C.phosphor.unit eluent.C.nh4ac eluent.C.nh4ac.unit eluent.C.nh4form eluent.C.nh4form.unit eluent.C.nh4carb eluent.C.nh4carb.unit eluent.C.nh4bicarb eluent.C.nh4bicarb.unit eluent.C.nh4f eluent.C.nh4f.unit eluent.C.nh4oh eluent.C.nh4oh.unit eluent.C.trieth eluent.C.trieth.unit eluent.C.triprop eluent.C.triprop.unit eluent.C.tribut eluent.C.tribut.unit eluent.C.nndimethylhex eluent.C.nndimethylhex.unit eluent.C.medronic eluent.C.medronic.unit eluent.C.pH eluent.D.h2o eluent.D.meoh eluent.D.acn eluent.D.iproh eluent.D.acetone eluent.D.hex eluent.D.chcl3 eluent.D.ch2cl2 eluent.D.hept eluent.D.formic eluent.D.formic.unit eluent.D.acetic eluent.D.acetic.unit eluent.D.trifluoroacetic eluent.D.trifluoroacetic.unit eluent.D.phosphor eluent.D.phosphor.unit eluent.D.nh4ac eluent.D.nh4ac.unit eluent.D.nh4form eluent.D.nh4form.unit eluent.D.nh4carb eluent.D.nh4carb.unit eluent.D.nh4bicarb eluent.D.nh4bicarb.unit eluent.D.nh4f eluent.D.nh4f.unit eluent.D.nh4oh eluent.D.nh4oh.unit eluent.D.trieth eluent.D.trieth.unit eluent.D.triprop eluent.D.triprop.unit eluent.D.tribut eluent.D.tribut.unit eluent.D.nndimethylhex eluent.D.nndimethylhex.unit eluent.D.medronic eluent.D.medronic.unit eluent.D.pH gradient.start.A gradient.start.B gradient.start.C gradient.start.D gradient.end.A gradient.end.B gradient.end.C gradient.end.D
0416 Waters ACQUITY UPLC BEH C18 L1 100 2.1 1.7 40 0 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 0.5 99.5 0 0
0416 Waters ACQUITY UPLC BEH C18 L1 100 2.1 1.7 40 0.3 0 100 0 0 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0.1 % 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 99.5 0.5 0 0 0.5 99.5 0 0
20 changes: 0 additions & 20 deletions processed_data/0416/0416_metadata.yaml
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4 changes: 2 additions & 2 deletions processed_data/0417/0417_info.tsv
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0417 10.1038/s41592-019-0358-2 Submitted by Fangyuan Sun Tsugawa, H., Nakabayashi, R., Mori, T. et al ROASMI_45 flowrate:0.3-0.4
id url source comment authors name missing information mail method.type
0417 10.1038/s41592-019-0358-2 Publication - Tsugawa Submitted by Fangyuan Sun Tsugawa, H., Nakabayashi, R., Mori, T. et al ROASMI_45 RP
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