Commits · 5a303d4118196459c23ffc431aef3548e3bfaae3 · Miroslav Kratochvil / shinyscreen · GitLab

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Apr 16, 2023
- Adapt make_*plot calls in shiny-ui-base. · 5a303d41
  Todor Kondić authored 1 year ago
  
  5a303d41
- Drop `extr_ms1' argument of `make_eic_ms1_plot'. · 769cb767
  Todor Kondić authored 1 year ago
  
  769cb767
- Adapt `make_spec_ms2_plot' to work with new data-model. · 970e34fb
  Todor Kondić authored 1 year ago
  
  970e34fb
- Cleaned up get_data_4_eic_ms2 · c976ce68
  Todor Kondić authored 1 year ago
  
  c976ce68
- Cleaned up make_eic_ms1_plot and related functions. · cce27875
  Todor Kondić authored 1 year ago
  
  cce27875
- Function `gen_val_unc' now represents errors with uncertanties. · b4d33bbe
  Todor Kondić authored 1 year ago
  
  b4d33bbe
- Prevent generating tables with multiple identical cols by `get_data_from_key'. · 63333fe7
  Todor Kondić authored 1 year ago
  
  63333fe7
- Test for `narrow_summ' and start testing `make_eic_ms1_plot'. · 89cfaa81
  Todor Kondić authored 1 year ago
  
  89cfaa81
- Starting from a trimmed down state in test-plotting to enable prescreening. · 07b4dcc2
  Todor Kondić authored 1 year ago
  
  07b4dcc2
- System to synthetise bogus MS spectra completed. · 8bca4042
  Todor Kondić authored 1 year ago
  
  8bca4042
- Update keys in empty_cgram_ms1 and empty_cgram_ms2. · 5e5744df
  Todor Kondić authored 1 year ago
  
  5e5744df
- Functions empty_cgram_ms1 and empty_cgram_ms2 construct empty chromatograms. · 2fb4d656
  Todor Kondić authored 1 year ago
  
  2fb4d656
- <- -> = · 21c35118
  Todor Kondić authored 1 year ago
  
  21c35118
- Adapted get_data_from_key and its calees. · c364ba4c
  Todor Kondić authored 1 year ago
  
  c364ba4c
- data-model: Fix precid/isocoarse merge for isobars. · 8fca8331
  Todor Kondić authored 1 year ago
  
  test-data-model: New test suite for data-model.R
  8fca8331
- get_data_4_eic_ms1: Add 'db' argument. · d13fa32e
  Todor Kondić authored 1 year ago
  
  d13fa32e
- Function make_eic_ms1_plot got a new argument `db'. · 75f09bd5
  Todor Kondić authored 1 year ago
  
  75f09bd5
- tests/testthat/test-plotting: Commented out bits under refactoring. · ee1504cb
  Todor Kondić authored 1 year ago
  
  ee1504cb
- extr$ms? -> db$extr$cgm$ms? · 2386b504
  Todor Kondić authored 1 year ago
  
  2386b504
- an -> scan · c69c6a52
  Todor Kondić authored 1 year ago
  
  c69c6a52
- Refactored `gen_summ' to work off new data model. · 04da47a2
  Todor Kondić authored 1 year ago
  
  04da47a2
- Move gen_summ from mix to data-model. · 4262e53b
  Todor Kondić authored 1 year ago
  
  4262e53b
- analyse_extracted_data: Adapted to db inputs. Also fixed sec/mins conversions... · 17cbb8f0
  Todor Kondić authored 1 year ago
  
  analyse_extracted_data: Adapted to db inputs. Also fixed sec/mins conversions in a couple of places.
  17cbb8f0
- extraction: find_ms1_max: Now correctly works with NAs in intensity. · 05140fe1
  Todor Kondić authored 1 year ago
  
  05140fe1
- extraction, api: Removed old extraction mechanism. · 2f9cdc4a
  Todor Kondić authored 1 year ago
  
  2f9cdc4a
- extract_spectra: Extract full MS2 spectra. · f99bf3ec
  Todor Kondić authored 1 year ago
  
  f99bf3ec
- extraction, api: MS2 chromatogram is extracted using relate_ms2_to_precid. · 8d829d08
  Todor Kondić authored 1 year ago
  
  8d829d08
- Towards MS2 chromatograms. · a54741c0
  Todor Kondić authored 1 year ago
  
  a54741c0
- man: Update. · a16ca355
  Todor Kondić authored 1 year ago
  
  a16ca355
- Refactor MS1 chromatogram extraction. · 27a85648
  Todor Kondić authored 2 years ago
  
  27a85648
- Start adding structure for MS2 extraction. · 03780562
  Todor Kondić authored 2 years ago
  
  03780562
- Changed isofine to precid. · 07444a47
  Todor Kondić authored 2 years ago
  
  07444a47
- make_db_precursors: Add file handling. · 0e370fc5
  Todor Kondić authored 2 years ago
  
  0e370fc5
Mar 09, 2023
- data-model: make_db_catalogue: Calculation of rt interval. · 5f70a04a
  Todor Kondić authored 2 years ago
  
  5f70a04a
- extr_data: Begin cleaning up `extr_data'. · e09d1a78
  Todor Kondić authored 2 years ago
  
  e09d1a78
- data-model: make_db_precursors: Group "fine" and "coarse" isobars. · 7b1aad34
  Todor Kondić authored 2 years ago
  
  7b1aad34
- db: New stage for generation of the database. · a3a6adf7
  Todor Kondić authored 2 years ago
  
  a3a6adf7
Mar 08, 2023
- new_runtime_state: Stop it from complaining about existing `metfrag' dir. · dcc3f99e
  Todor Kondić authored 2 years ago
  
  dcc3f99e
- norm_path: Stop it from complaining about non-existing paths when path = "". · 0f772b2a
  Todor Kondić authored 2 years ago
  
  0f772b2a
- Create (conditional) integration tests. · 7b1935f7
  Todor Kondić authored 2 years ago
  
  7b1935f7