- Nov 11, 2020
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Todor Kondic authored
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- Nov 10, 2020
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
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- Nov 06, 2020
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Todor Kondic authored
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- Oct 28, 2020
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Todor Kondic authored
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- Oct 27, 2020
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
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- Oct 24, 2020
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
Things like conversion between some controls and the yaml config file etc ...
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Todor Kondic authored
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Todor Kondic authored
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- Oct 23, 2020
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Todor Kondic authored
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Todor Kondic authored
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- Oct 22, 2020
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Todor Kondic authored
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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.
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- Oct 21, 2020
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
* R/shiny-ui-base.R(rt_input,mz_input): Parameter pref now determines the label of the control.
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Todor Kondic authored
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Todor Kondic authored
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- Oct 18, 2020
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Todor Kondic authored
* inst/rmd/app.Rmd: Shinyscreen GUI.
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Todor Kondic authored
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- Oct 16, 2020
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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.
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- Oct 12, 2020
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Todor Kondic authored
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Todor Kondic authored
* R/api.R(subset_summary): New function. This will subset the summary table according to the user specification. (order_spectra): Updated docs.
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- Oct 11, 2020
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Todor Kondic authored
* R/resources.R (DEF_ORDER_SPECTRA): Summary table should be ordered by sets first and then the quality and intensity as criteria.
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- Oct 07, 2020
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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.
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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.
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Todor Kondic authored
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Todor Kondic authored
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Todor Kondic authored
The best name for what used to be called ftable is summary table.
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Todor Kondic authored
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Todor Kondic authored
* R/run.R: Deleted. None of the functions therein are needed anymore.
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