[us-commits] [ehb54/ultrascan3] fd83a7: us_legacy_converter: fixed the issue with differen...
Borries Demeler
noreply at github.com
Tue Jul 16 12:30:02 MDT 2024
Branch: refs/heads/master
Home: https://github.com/ehb54/ultrascan3
Commit: fd83a707b611d54cfa91da36dc385f69b8199b60
https://github.com/ehb54/ultrascan3/commit/fd83a707b611d54cfa91da36dc385f69b8199b60
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-05-16 (Thu, 16 May 2024)
Changed paths:
M programs/us_legacy_converter/us_legacy_converter.cpp
Log Message:
-----------
us_legacy_converter: fixed the issue with different filename petterns for interference and other types
Commit: 8ea8d434166555da395c6bef18a5d60ebe5e9f75
https://github.com/ehb54/ultrascan3/commit/8ea8d434166555da395c6bef18a5d60ebe5e9f75
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-05-16 (Thu, 16 May 2024)
Changed paths:
M programs/us_legacy_converter/us_legacy_converter.cpp
Log Message:
-----------
us_legacy_converter: edited the error messanges
Commit: 97181bd3dbd7ea25bd844afd4dd86f3251a21491
https://github.com/ehb54/ultrascan3/commit/97181bd3dbd7ea25bd844afd4dd86f3251a21491
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-04 (Tue, 04 Jun 2024)
Changed paths:
A admin/modulefiles/README.md
A admin/modulefiles/home-gui-build
M gui/us_buffer_gui.cpp
M gui/us_choice.h
M gui/us_colorgradIO.h
M gui/us_combined_plots_parms_gui.h
M gui/us_csv_loader.h
M gui/us_edit_spectrum.h
M gui/us_editor.h
M gui/us_editor_gui.h
M gui/us_extinctfitter_gui.h
M gui/us_extinction_gui.h
M gui/us_help.h
M gui/us_load_auc.h
M gui/us_loadable_noise.h
M gui/us_minimize.h
M gui/us_mwl_data.h
M gui/us_new_spectrum.h
M gui/us_predict1.h
M gui/us_table.h
M mainpage.dox
M make_all.pro
M programs/us_2dplot/us_2dplot.h
M programs/us_2dsa/us_2dsa.h
M programs/us_abde/us_abde_main.h
M programs/us_abde/us_norm_profile.h
M programs/us_audit_trail_gmp/us_audit_trail_gmp.h
M programs/us_autoflow_analysis/us_autoflow_analysis.h
M programs/us_buoyancy/us_buoyancy.h
M programs/us_combine_models/us_combine_models.h
M programs/us_dcdt/us_dcdt.h
M programs/us_ddist_combine/us_ddist_combine.h
M programs/us_density_match/us_density_match.h
M programs/us_dmga_init/us_dmga_init.h
M programs/us_edit/us_edit_scan.h
M programs/us_edit/us_exclude_profile.h
M programs/us_edit/us_get_edit.h
M programs/us_edit/us_ri_noise.h
M programs/us_edit/us_select_lambdas.h
M programs/us_equiltime/us_equiltime.h
M programs/us_esigner_gmp/us_esigner_gmp.h
M programs/us_export_legacy/us_export.h
M programs/us_fds_filemanager/us_fds_filemanager.h
M programs/us_fematch/us_fematch.h
M programs/us_fit_meniscus/us_fit_meniscus.h
M programs/us_ga_init/us_ga_init.h
M programs/us_globalequil/us_eqfit_control.h
M programs/us_globalequil/us_eqhistogram.h
M programs/us_globalequil/us_eqmath.h
M programs/us_globalequil/us_eqmodel_control.h
M programs/us_globalequil/us_eqreporter.h
M programs/us_globalequil/us_fit_worker.h
M programs/us_globalequil/us_globalequil.h
M programs/us_globalequil/us_globeq_data.h
M programs/us_globalequil/us_long_messagebox.h
M programs/us_globalequil/us_model_adpars.h
M programs/us_globalequil/us_model_select.h
M programs/us_grid_editor/us_grid_editor.h
M programs/us_integral/us_integral.h
M programs/us_legacy_converter/us_legacy_converter.h
M programs/us_manage_data/us_data_model.h
M programs/us_manage_data/us_data_process.h
M programs/us_manage_data/us_data_tree.h
M programs/us_manage_data/us_manage_data.h
M programs/us_modelmetrics/us_modelmetrics.h
M programs/us_mpi_analysis/us_mpi_analysis.h
M programs/us_mwl_db_query/us_mwl_run.h
M programs/us_mwl_species_fit/us_load_run_noise.h
M programs/us_mwl_species_fit/us_mwl_sf_plot3d.h
M programs/us_mwl_species_fit/us_mwl_species_fit.h
M programs/us_mwl_species_sim/us_mwl_species_sim.h
M programs/us_mwlr_viewer/us_mwl_run.h
M programs/us_pcsa/us_pcsa.h
M programs/us_predict2/us_predict2.h
M programs/us_protocol_dev/us_protocol_dev_gui.h
M programs/us_pseudo3d_combine/us_pseudo3d_combine.h
M programs/us_pseudo_absorbance/us_add_refScan.h
M programs/us_pseudo_absorbance/us_convert_scan.h
M programs/us_pseudo_absorbance/us_pabs_common.h
M programs/us_pseudo_absorbance/us_pseudo_absorbance.h
M programs/us_pseudo_absorbance/us_refScan_dataIO.h
M programs/us_pseudo_absorbance/us_remove_ri.h
M programs/us_query_rmsd/us_query_rmsd.h
M programs/us_ramp/us_mwlramp.h
M programs/us_rasmol_control/us_rasmol_control.h
M programs/us_reporter/us_reporter.h
M programs/us_reporter_gmp/us_reporter_gmp.h
M programs/us_rotor_calibration/us_get_dbexp.h
M programs/us_rotor_calibration/us_rotor_calibration.h
M programs/us_second_moment/us_second_moment.h
M programs/us_spectrum/us_spectrum.h
M programs/us_vhw_combine/us_vhw_combine.h
M programs/us_vhw_enhanced/us_vhw_enhanced.h
M programs/us_xpn_viewer/us_xpn_run_auc.h
M programs/us_xpn_viewer/us_xpn_run_raw.h
M utils/us_ana_profile.h
M utils/us_cfa_data.h
M utils/us_extern.h
M utils/us_extinctutils.h
M utils/us_geturl.h
M utils/us_gzip.h
M utils/us_link_ssl.h
M utils/us_local_server.h
M utils/us_math2.h
M utils/us_model.h
M utils/us_noise.h
M utils/us_report_gmp.h
M utils/us_run_protocol.h
M utils/us_solve_sim.h
M utils/us_tar.h
M utils/us_timer.h
M utils/us_vector.h
M utils/us_xpn_data.h
Log Message:
-----------
Merge remote-tracking branch 'upstream/master'
Commit: d276f0c3e7ccda141fbb2bd99e1a8057a5bf4c97
https://github.com/ehb54/ultrascan3/commit/d276f0c3e7ccda141fbb2bd99e1a8057a5bf4c97
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-05 (Wed, 05 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: updated to the new version
Commit: d6849183728eeaa7942bcfbe21e7df43dfc58425
https://github.com/ehb54/ultrascan3/commit/d6849183728eeaa7942bcfbe21e7df43dfc58425
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-16 (Sun, 16 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: removed the buffer counter used in buffer averaging tools
Commit: f86b28bfc0c2d66f425ea67597daac793849af61
https://github.com/ehb54/ultrascan3/commit/f86b28bfc0c2d66f425ea67597daac793849af61
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-16 (Sun, 16 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: modify the layout
Commit: 0aa114551c73466842cbc26560d6c6b0e76442d7
https://github.com/ehb54/ultrascan3/commit/0aa114551c73466842cbc26560d6c6b0e76442d7
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-17 (Mon, 17 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: compute reference data scan by scan. centered combobox texts. there is a bug that when a new reference triple selected, absorbance data not updated correctly
Commit: a7bba2bfa685ca54a7067b241dcab78ee9c61089
https://github.com/ehb54/ultrascan3/commit/a7bba2bfa685ca54a7067b241dcab78ee9c61089
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-17 (Mon, 17 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: fixed saving pseudo-absorbance run
Commit: 5ac1b1511fa7d496471453fc5f7e193afa6c371b
https://github.com/ehb54/ultrascan3/commit/5ac1b1511fa7d496471453fc5f7e193afa6c371b
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-17 (Mon, 17 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: add scan counter, add aligning method to center all qwtcounters
Commit: cb89fc50d1cfc4b5333e889a590c5218ca0838bf
https://github.com/ehb54/ultrascan3/commit/cb89fc50d1cfc4b5333e889a590c5218ca0838bf
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-17 (Mon, 17 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: set back a fixed size to scan counters
Commit: 387ab019c3818475c24170f8d9d30aff7348d0d3
https://github.com/ehb54/ultrascan3/commit/387ab019c3818475c24170f8d9d30aff7348d0d3
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-17 (Mon, 17 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: add lower_scan_range and upper_scan_range to handle scan control and edit the saving function in order to support it
Commit: 8b78c5be2ab986f27d79ed3eb793c85c925ea254
https://github.com/ehb54/ultrascan3/commit/8b78c5be2ab986f27d79ed3eb793c85c925ea254
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-18 (Tue, 18 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: add functions to load a run from both local disk and database
Commit: ec2daae67295e8c2283f6d23a18048493a54337f
https://github.com/ehb54/ultrascan3/commit/ec2daae67295e8c2283f6d23a18048493a54337f
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-18 (Tue, 18 Jun 2024)
Changed paths:
M gui/us_buffer_gui.cpp
M programs/us_analysis_profile/us_analysis_profile.cpp
M programs/us_analysis_profile/us_analysis_profile.h
M programs/us_analysis_profile/us_anapro_utils.cpp
M programs/us_com_project/us_com_project_gui.cpp
M programs/us_convert/us_convert_gui.cpp
M programs/us_convert/us_convert_gui.h
M programs/us_edit/us_edit.cpp
M programs/us_edit/us_edit.h
M programs/us_experiment/us_exp_utils.cpp
M programs/us_experiment/us_experiment_gui_optima.h
M programs/us_experiment/us_proto_ranges.cpp
M programs/us_fematch/us_fematch.cpp
M programs/us_query_rmsd/us_query_rmsd.cpp
M utils/us_run_protocol.cpp
M utils/us_run_protocol.h
Log Message:
-----------
Merge remote-tracking branch 'upstream/master'
Commit: c7c5b4478c88723be486b5a5d555a1964f633448
https://github.com/ehb54/ultrascan3/commit/c7c5b4478c88723be486b5a5d555a1964f633448
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-18 (Tue, 18 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
Log Message:
-----------
us_convert_scan: fixed the issue with loaded runid
Commit: 9a4ea4b5f63a58059ce5531816f35544f1ccd9a6
https://github.com/ehb54/ultrascan3/commit/9a4ea4b5f63a58059ce5531816f35544f1ccd9a6
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-18 (Tue, 18 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_convert_scan: removed smoothing, added od threshol cotrol, added plotting both intensity and reference scan chechbox
Commit: 5d0399d4f33e191ae5f8ca3d2458f862918c0cee
https://github.com/ehb54/ultrascan3/commit/5d0399d4f33e191ae5f8ca3d2458f862918c0cee
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-19 (Wed, 19 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_convert_scan: debug max_OD issue
Commit: 38ef7c0ad68f436d6fc1d3eb814c1d7f25a84b41
https://github.com/ehb54/ultrascan3/commit/38ef7c0ad68f436d6fc1d3eb814c1d7f25a84b41
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-19 (Wed, 19 Jun 2024)
Changed paths:
M gui/libus_gui.pro
M gui/us_mwl_data.cpp
M gui/us_plot3d.cpp
M gui/us_plot3d.h
R gui/us_plot3d_xyz.cpp
R gui/us_plot3d_xyz.h
M programs/us_edit/us_edit.cpp
M programs/us_mwl_db_query/us_mwl_pltctrl.cpp
M programs/us_mwl_db_query/us_mwl_pltctrl.h
M programs/us_mwl_db_query/us_mwlr_viewer.h
M programs/us_mwl_spectra/us_mwl_spectra.cpp
M programs/us_mwl_spectra/us_mwl_spectra.h
M programs/us_mwl_spectra/us_mwls_pltctl.cpp
M programs/us_mwl_spectra/us_mwls_pltctl.h
M programs/us_mwlr_viewer/us_mwl_pltctrl.cpp
M programs/us_mwlr_viewer/us_mwl_pltctrl.h
M programs/us_mwlr_viewer/us_mwlr_viewer.h
M programs/us_vhw_combine/us_vhw_combine.h
M programs/us_vhw_combine/us_vhwc_pltctl.cpp
M programs/us_vhw_combine/us_vhwc_pltctl.h
Log Message:
-----------
Merge remote-tracking branch 'upstream/master'
Commit: a284a39dbe202c542e195f587432bab228936a78
https://github.com/ehb54/ultrascan3/commit/a284a39dbe202c542e195f587432bab228936a78
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-19 (Wed, 19 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_add_refScan.cpp
M programs/us_pseudo_absorbance/us_add_refScan.h
Log Message:
-----------
us_pseudo_absorbance/us_add_refScan: new GUI layout, add saving reference scans data into a csv file
Commit: 981fe32d21d37705de6947d17eb994c9b58fd2f0
https://github.com/ehb54/ultrascan3/commit/981fe32d21d37705de6947d17eb994c9b58fd2f0
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-19 (Wed, 19 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: initialize loading the reference scan from a csv file
Commit: a8a794e38a02b563a9dac06de5bea9dc3d34b72e
https://github.com/ehb54/ultrascan3/commit/a8a794e38a02b563a9dac06de5bea9dc3d34b72e
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-20 (Thu, 20 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: add highlighting, used data embeded into table and combo items to specify the reference scans of each channel
Commit: e44a4793fdb5ea5519e12a42e6c2651ed04025d6
https://github.com/ehb54/ultrascan3/commit/e44a4793fdb5ea5519e12a42e6c2651ed04025d6
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-20 (Thu, 20 Jun 2024)
Changed paths:
M programs/us_autoflow_analysis/us_autoflow_analysis.cpp
M programs/us_edit/us_edit.cpp
M programs/us_edit/us_select_lambdas.cpp
M programs/us_fematch/us_advanced_fem.cpp
M programs/us_fematch/us_advanced_fem.h
M programs/us_fematch/us_fematch.cpp
M programs/us_reporter_gmp/us_reporter_gmp.cpp
Log Message:
-----------
Merge remote-tracking branch 'upstream/master'
Commit: 6faefe317b02cdc09f0d863d3218fab4b051e7cf
https://github.com/ehb54/ultrascan3/commit/6faefe317b02cdc09f0d863d3218fab4b051e7cf
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-20 (Thu, 20 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_add_refScan.cpp
Log Message:
-----------
us_add_refScan.cpp: update GUI
Commit: 6874704b11f25cc18eefabd2f708466ad881c998
https://github.com/ehb54/ultrascan3/commit/6874704b11f25cc18eefabd2f708466ad881c998
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-20 (Thu, 20 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_pseudo_absorbance.cpp
Log Message:
-----------
us_add_refScan.cpp: renamed titles
Commit: 520dbf025f0c6f6ed58b38a09eabc4eb4ea7dbb3
https://github.com/ehb54/ultrascan3/commit/520dbf025f0c6f6ed58b38a09eabc4eb4ea7dbb3
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-21 (Fri, 21 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
Log Message:
-----------
us_pseudo_absorbance/us_convert_scan: centered items text, embed wavl_id into table items so that we can track of changes after selecting a new item
Commit: b6905b021b4b68396103ccde1404bba9ab9f58fc
https://github.com/ehb54/ultrascan3/commit/b6905b021b4b68396103ccde1404bba9ab9f58fc
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-06-21 (Fri, 21 Jun 2024)
Changed paths:
M programs/us_pseudo_absorbance/us_convert_scan.cpp
Log Message:
-----------
us_convert_scan: update messages
Commit: 12d686067683b40a82496730475d548fd90bd798
https://github.com/ehb54/ultrascan3/commit/12d686067683b40a82496730475d548fd90bd798
Author: samo38 <saeed.mortezazadeh25 at gmail.com>
Date: 2024-07-15 (Mon, 15 Jul 2024)
Changed paths:
M LICENSE.txt
M README.md
A us_somo/develop/include/Eigen/Cholesky
A us_somo/develop/include/Eigen/CholmodSupport
A us_somo/develop/include/Eigen/Core
A us_somo/develop/include/Eigen/Dense
A us_somo/develop/include/Eigen/Eigen
A us_somo/develop/include/Eigen/Eigenvalues
A us_somo/develop/include/Eigen/Geometry
A us_somo/develop/include/Eigen/Householder
A us_somo/develop/include/Eigen/IterativeLinearSolvers
A us_somo/develop/include/Eigen/Jacobi
A us_somo/develop/include/Eigen/KLUSupport
A us_somo/develop/include/Eigen/LU
A us_somo/develop/include/Eigen/MetisSupport
A us_somo/develop/include/Eigen/OrderingMethods
A us_somo/develop/include/Eigen/PaStiXSupport
A us_somo/develop/include/Eigen/PardisoSupport
A us_somo/develop/include/Eigen/QR
A us_somo/develop/include/Eigen/QtAlignedMalloc
A us_somo/develop/include/Eigen/SPQRSupport
A us_somo/develop/include/Eigen/SVD
A us_somo/develop/include/Eigen/Sparse
A us_somo/develop/include/Eigen/SparseCholesky
A us_somo/develop/include/Eigen/SparseCore
A us_somo/develop/include/Eigen/SparseLU
A us_somo/develop/include/Eigen/SparseQR
A us_somo/develop/include/Eigen/StdDeque
A us_somo/develop/include/Eigen/StdList
A us_somo/develop/include/Eigen/StdVector
A us_somo/develop/include/Eigen/SuperLUSupport
A us_somo/develop/include/Eigen/UmfPackSupport
A us_somo/develop/include/Eigen/src/Cholesky/LDLT.h
A us_somo/develop/include/Eigen/src/Cholesky/LLT.h
A us_somo/develop/include/Eigen/src/Cholesky/LLT_LAPACKE.h
A us_somo/develop/include/Eigen/src/CholmodSupport/CholmodSupport.h
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Log Message:
-----------
Merge remote-tracking branch 'upstream/master'
Commit: 4400d2b9aa063ef6b60bbfcb59afe2d130c364af
https://github.com/ehb54/ultrascan3/commit/4400d2b9aa063ef6b60bbfcb59afe2d130c364af
Author: Borries Demeler <7659499+demeler at users.noreply.github.com>
Date: 2024-07-16 (Tue, 16 Jul 2024)
Changed paths:
M programs/us_legacy_converter/us_legacy_converter.cpp
M programs/us_pseudo_absorbance/us_add_refScan.cpp
M programs/us_pseudo_absorbance/us_add_refScan.h
M programs/us_pseudo_absorbance/us_convert_scan.cpp
M programs/us_pseudo_absorbance/us_convert_scan.h
M programs/us_pseudo_absorbance/us_pseudo_absorbance.cpp
Log Message:
-----------
Merge pull request #117 from samo38/master
new pseudo-absorbance program
Compare: https://github.com/ehb54/ultrascan3/compare/93c4ea87b2f7...4400d2b9aa06
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