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  1. Nov 13, 2020
  2. Nov 12, 2020
  3. Nov 11, 2020
  4. Nov 10, 2020
  5. Nov 06, 2020
  6. Oct 28, 2020
  7. Oct 27, 2020
  8. Oct 24, 2020
  9. Oct 23, 2020
  10. Oct 22, 2020
    • Todor Kondic's avatar
      1780d504
    • Todor Kondic's avatar
      api, mix: Make configuration static · 84862ea4
      Todor Kondic authored
      Prior to this commit, cofiguration consisted of static values and
      dynamic variables calculated based on the static values. Changing a
      static value meant that those variables had to be recalculated. In a
      reactive environment where things change a lot, there was danger that
      some parts do not get calculated, or that recalculation leads to
      overwriting of other variables. Now, all the dynamic config entries,
      such as paths within the project tree are delegated to "accessor"
      methods that evaluate their value at the right time.
      
      * R/mix(get_fn_comp,get_fn_extr,get_fn_summ): New functions to
      evaluate paths to the comprehensive table, extraction file and the
      summary file.
      
      * R/api.R: Corresponding changes in here.
      
      * NAMESPACE: Some updates.
      84862ea4
  11. Oct 21, 2020
  12. Oct 18, 2020
  13. Oct 16, 2020
    • Todor Kondic's avatar
      all: Minimal plot and publish system in place · 0e2702b7
      Todor Kondic authored
      * NAMESPACE: Update exports
      
      * R/api.R(create_plots,save_plots,report): User-level functions to
      generate and save plots, as well as generate a report containing them.
      
      * R/mix.R: Supporting functions for above.
      
      * R/resources.R: Supporting params for above.
      0e2702b7
  14. Oct 12, 2020
  15. Oct 11, 2020
  16. Oct 07, 2020
    • Todor Kondic's avatar
      api: Remove set column during data extraction · 283e4791
      Todor Kondic authored
      * R/api.R (extr_data): An unecessary set column was removed from the
      m$extr$ms table to avoid possible confusion. Extraction deals with
      unique masses, so this column listed only the first set (in comp
      table) that contained a particular mass. Later, during the prescreen
      stage the set is coming back directly from the comp table.
      283e4791
    • Todor Kondic's avatar
      api: prescreen creates new m$out$tab members, ms1_spec, ms2_spec, summ · aedd02b5
      Todor Kondic authored
      * R/api.R(prescreen): Split the qa$ms table into three: one to hold
      ms1 spectra (ms1_spec), one for ms2 spectra (ms2_spec) and a summary
      table (former ftable, now summ). This was done due to mismatch in the
      number of entries between MS1 and MS2 spectra and in order to keep
      summ table lightweight (no complex objects such as other tables).
      
      * R/resources.R(MS2_SPEC_COLS, MS1_SPEC_COLS, DEF_ORDER_SPECTRA):
      Constants COLS define the columns of ms?_spec and DEF_ORDER_SPECTRA
      lost set as uninteresting column.
      aedd02b5
    • Todor Kondic's avatar
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