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eemR 0.1.3

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@PMassicotte PMassicotte released this 02 May 07:19
  • Interactive plot using a simple shiny app. Using plot(eems, interactive = TRUE) will lunch a shiny app that allows to interactively browse EEMs contained in eems.
  • A vignette has been added to the package whic can be viewed using vignette(topic = "introduction", package = "eemR").
  • An error will occur if one try to do raman normalization on a blank where scattering bands have been removed.
  • eem_sample_names() has been replaced by eem_names().
  • Reading Aqualog files is now ~20% faster (#26).
  • plot() gains an argument show_peaks = TRUE/FALSE which can be used to display most common fluorescence peaks used in the literature.
  • eem_remove_blank() and eem_raman_normalisation() can now try to implicitly use a blank eem from a eemlist object (#20). If blank is omitted (blank = NA), the functions will try to extract the blank from the eemlist object. This is done by looking for sample names containing one of these complete or partial strings (ignoring case):
    • "nano"
    • "miliq"
    • "milliq"
    • "mq"
    • "blank"

Consider the following example where there are two folders that could represent scans performed on two different days scans_day_1 and scans_day_2. In each folder there are three samples and one blank files. In that context, eem_remove_blank() will use the blank nano.csv from sample1.csv, sample2.csv and sample3.csv. The same strategy will be used for files in folder scans_day_2 but with blank named blank.csv.

inst/extdata/cary/
├── scans_day_1
│   ├── nano.csv
│   ├── sample1.csv
│   ├── sample2.csv
│   └── sample3.csv
└── scans_day_2
    ├── blank.csv
    └── s1.csv
  • eem_extract() has now an argument verbose (default = FALSE) that determine if the names of removed or extracted eems should be printed on screen.
  • Implemented the generic print() method which calls summary().
  • Added tests to the packages to verify metrics.
  • Now better estimate the number of columns to read in Cary Eclipse files (#27). This also makes reading much faster.