Package 'lightr'

Convert spectral data files to csv files

Description

Convert spectral data files to csv files

Usage

lr_convert_tocsv(
  where = NULL,
  ext = "txt",
  decimal = ".",
  sep = NULL,
  subdir = FALSE,
  ignore.case = TRUE,
  overwrite = FALSE,
  metadata = TRUE
)

Arguments

where	Folder in which files are located (defaults to current working directory).
ext	File extension to be searched for, without the "." (defaults to txt). You can also use a character vector to specify multiple file extensions.
decimal	Character to be used to identify decimal plates (defaults to .).
sep	Column delimiting characters to be considered in addition to the default (which are: tab, space, and ";")
subdir	Should subdirectories within the where folder be included in the search? (defaults to FALSE).
ignore.case	Should the extension search be case insensitive? (defaults to TRUE)
overwrite	logical. Should the function overwrite existing files with the same name? (defaults to FALSE).
metadata	logical (defaults to TRUE). Should metadata be exported as well? They will be exported in csv files will the ⁠_metadata.csv⁠ suffix.

Details

You can customise the type of parallel processing used by this function with the future::plan() function. This works on all operating systems, as well as high performance computing (HPC) environment. Similarly, you can customise the way progress is shown with the progressr::handlers() functions (progress bar, acoustic feedback, nothing, etc.)

Value

Convert input files to csv and invisibly return the list of created file paths

Warning

When metadata = TRUE, if either the data or metadata export fails, nothing will be returned for this file.

---

Extract metadata from spectra files

Description

Finds and imports metadata from spectra files in a given location.

Usage

lr_get_metadata(
  where = getwd(),
  ext = "ProcSpec",
  sep = NULL,
  subdir = FALSE,
  subdir.names = FALSE,
  ignore.case = TRUE
)

Arguments

where	Folder in which files are located (defaults to current working directory).
ext	File extension to be searched for, without the "." (defaults to txt). You can also use a character vector to specify multiple file extensions.
sep	Column delimiting characters to be considered in addition to the default (which are: tab, space, and ";")
subdir	Should subdirectories within the where folder be included in the search? (defaults to FALSE).
subdir.names	Should subdirectory path be included in the name of the spectra? (defaults to FALSE).
ignore.case	Should the extension search be case insensitive? (defaults to TRUE)

Details

You can customise the type of parallel processing used by this function with the future::plan() function. This works on all operating systems, as well as high performance computing (HPC) environment. Similarly, you can customise the way progress is shown with the progressr::handlers() functions (progress bar, acoustic feedback, nothing, etc.)

Value

A data.frame containing one file per row and the following columns:

• name: File name (without the extension)

• user: Name of the spectrometer operator

• datetime: Timestamp of the recording (ISO 8601 format)

• spec_model: Model of the spectrometer

• spec_ID: Unique ID of the spectrometer

• white_inttime: Integration time of the white reference (in ms)

• dark_inttime: Integration time of the dark reference (in ms)

• sample_inttime: Integration time of the sample (in ms)

• white_avgs: Number of averaged measurements for the white reference

• dark_avgs: Number of averaged measurements for the dark reference

• sample_avgs: Number of averaged measurements for the sample

• white_boxcar: Boxcar width for the white reference

• dark_boxcar: Boxcar width for the dark reference

• sample_boxcar: Boxcar width for the sample reference

Warning

white_inttime, dark_inttime and sample_inttime should be equal. The normalised data may be inaccurate otherwise.

References

White TE, Dalrymple RL, Noble DWA, O'Hanlon JC, Zurek DB, Umbers KDL. Reproducible research in the study of biological coloration. Animal Behaviour. 2015 Aug 1;106:51-7 (doi:10.1016/j.anbehav.2015.05.007).

Examples

lr_get_metadata(system.file("testdata", "procspec_files",
                            package = "lightr"),
                ext = "ProcSpec")

---

Extract spectral data from spectra files

Description

Finds and imports reflectance/transmittance/absorbance data from spectra files in a given location.

Usage

lr_get_spec(
  where = getwd(),
  ext = "txt",
  lim = c(300, 700),
  decimal = ".",
  sep = NULL,
  subdir = FALSE,
  subdir.names = FALSE,
  ignore.case = TRUE,
  interpolate = TRUE
)

Arguments

where	Folder in which files are located (defaults to current working directory).
ext	File extension to be searched for, without the "." (defaults to txt). You can also use a character vector to specify multiple file extensions.
lim	A vector with two numbers determining the wavelength limits to be considered (defaults to c(300, 700)).
decimal	Character to be used to identify decimal plates (defaults to .).
sep	Column delimiting characters to be considered in addition to the default (which are: tab, space, and ";")
subdir	Should subdirectories within the where folder be included in the search? (defaults to FALSE).
subdir.names	Should subdirectory path be included in the name of the spectra? (defaults to FALSE).
ignore.case	Should the extension search be case insensitive? (defaults to TRUE)
interpolate	Boolean indicated whether spectral data should be interpolated and pruned at every nanometre. Note that this option can only work if all input data samples the same wavelengths. Defaults to TRUE.

Details

You can customise the type of parallel processing used by this function with the future::plan() function. This works on all operating systems, as well as high performance computing (HPC) environment. Similarly, you can customise the way progress is shown with the progressr::handlers() functions (progress bar, acoustic feedback, nothing, etc.)

Value

A data.frame, containing the wavelengths in the first column and individual imported spectral files in the subsequent columns.

See Also

pavo::getspec()

Examples

spcs <- lr_get_spec(system.file("testdata", package = "lightr"), ext = "jdx")
head(spcs)

---

Generic function to parse spectra files that don't have a specific parser

Description

Generic function to parse spectra files that don't have a specific parser

Usage

lr_parse_generic(filename, decimal = ".", sep = NULL)

Arguments

filename	Path of the file to parse
decimal	Character to be used to identify decimal plates (defaults to .).
sep	Column delimiting characters to be considered in addition to the default (which are: tab, space, and ";")

Details

'processed' column computed by official software and provided as is.

Value

A named list of two elements:

• data: a dataframe with columns "wl", "dark", "white", "scope" and "processed", in this order.

• metadata: a character vector with metadata including:

  • user: Name of the spectrometer operator

  • datetime: Timestamp of the recording in format '%Y-%m-%d %H:%M:%S' and UTC timezone. If timezone is missing in source file, UTC time will be assumed (for reproducibility purposes across computers with different localtimes).

  • spec_model: Model of the spectrometer

  • spec_ID: Unique ID of the spectrometer

  • white_inttime: Integration time of the white reference (in ms)

  • dark_inttime: Integration time of the dark reference (in ms)

  • sample_inttime: Integration time of the sample (in ms)

  • white_avgs: Number of averaged measurements for the white reference

  • dark_avgs: Number of averaged measurements for the dark reference

  • sample_avgs: Number of averaged measurements for the sample

  • white_boxcar: Boxcar width for the white reference

  • dark_boxcar: Boxcar width for the dark reference

  • sample_boxcar: Boxcar width for the sample reference

Examples

res_csv <- lr_parse_generic(
  system.file("testdata", "spec.csv", package = "lightr"),
  sep = ","
)
head(res_csv$data)
# No metadata is extracted with this parser
res_csv$metadata

res_craic <- lr_parse_generic(
  system.file("testdata", "CRAIC_export.txt", package = "lightr")
)
head(res_craic$data)
# No metadata is extracted with this parser
res_craic$metadata

---

Parse OceanOptics converted file

Description

Parse OceanOptics/OceanInsight converted file. https://www.oceanoptics.com/

Usage

lr_parse_jaz(filename)

lr_parse_jazirrad(filename)

Arguments

filename

Path of the file to parse

Details

'processed' column computed by official software and provided as is.

Value

A named list of two elements:

• data: a dataframe with columns "wl", "dark", "white", "scope" and "processed", in this order.

• metadata: a character vector with metadata including:

  • user: Name of the spectrometer operator

  • datetime: Timestamp of the recording in format '%Y-%m-%d %H:%M:%S' and UTC timezone. If timezone is missing in source file, UTC time will be assumed (for reproducibility purposes across computers with different localtimes).

  • spec_model: Model of the spectrometer

  • spec_ID: Unique ID of the spectrometer

  • white_inttime: Integration time of the white reference (in ms)

  • dark_inttime: Integration time of the dark reference (in ms)

  • sample_inttime: Integration time of the sample (in ms)

  • white_avgs: Number of averaged measurements for the white reference

  • dark_avgs: Number of averaged measurements for the dark reference

  • sample_avgs: Number of averaged measurements for the sample

  • white_boxcar: Boxcar width for the white reference

  • dark_boxcar: Boxcar width for the dark reference

  • sample_boxcar: Boxcar width for the sample reference

Examples

res_jaz <- lr_parse_jaz(system.file("testdata", "jazspec.jaz",
                        package = "lightr"))
head(res_jaz$data)
res_jaz$metadata

res_jazirrad <- lr_parse_jazirrad(system.file("testdata", "irrad.JazIrrad",
                                  package = "lightr"))
head(res_jazirrad$data)
res_jazirrad$metadata

res_usb4000 <- lr_parse_jaz(system.file("testdata", "OOusb4000.txt",
                            package = "lightr"))
head(res_usb4000$data)
res_usb4000$metadata

res_transmission <- lr_parse_jaz(
  system.file("testdata", "FMNH6834.00000001.Master.Transmission",
               package = "lightr")
)
head(res_transmission$data)
res_transmission$metadata

---

Parse OceanOptics JCAMP-DX (.jdx) file

Description

Parse OceanOptics/OceanInsight JCAMP-DX (.jdx) file. https://www.oceanoptics.com/

Usage

lr_parse_jdx(filename)

Arguments

filename

Path of the file to parse

Details

'processed' column computed by lightr with the function lr_compute_processed().

Value

A named list of two elements:

• data: a dataframe with columns "wl", "dark", "white", "scope" and "processed", in this order.

• metadata: a character vector with metadata including:

  • user: Name of the spectrometer operator

  • datetime: Timestamp of the recording in format '%Y-%m-%d %H:%M:%S' and UTC timezone. If timezone is missing in source file, UTC time will be assumed (for reproducibility purposes across computers with different localtimes).

  • spec_model: Model of the spectrometer

  • spec_ID: Unique ID of the spectrometer

  • white_inttime: Integration time of the white reference (in ms)

  • dark_inttime: Integration time of the dark reference (in ms)

  • sample_inttime: Integration time of the sample (in ms)

  • white_avgs: Number of averaged measurements for the white reference

  • dark_avgs: Number of averaged measurements for the dark reference

  • sample_avgs: Number of averaged measurements for the sample

  • white_boxcar: Boxcar width for the white reference

  • dark_boxcar: Boxcar width for the dark reference

  • sample_boxcar: Boxcar width for the sample reference

References

McDonald RS, Wilks PA. JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form. Applied Spectroscopy. 1988;42(1):151-62.

Examples

res_jdx <- lr_parse_jdx(system.file("testdata", "OceanOptics_period.jdx",
                                    package = "lightr"))
head(res_jdx$data)
res_jdx$metadata

---

Parse OceanOptics ProcSpec file

Description

Parse OceanOptics/OceanInsight ProcSpec file. https://www.oceanoptics.com/

Usage

lr_parse_procspec(filename)

Arguments

filename

Path of the file to parse

Details

'processed' column computed by official software and provided as is.

Value

A named list of two elements:

• data: a dataframe with columns "wl", "dark", "white", "scope" and "processed", in this order.

• metadata: a character vector with metadata including:

  • user: Name of the spectrometer operator

  • datetime: Timestamp of the recording in format '%Y-%m-%d %H:%M:%S' and UTC timezone. If timezone is missing in source file, UTC time will be assumed (for reproducibility purposes across computers with different localtimes).

  • spec_model: Model of the spectrometer

  • spec_ID: Unique ID of the spectrometer

  • white_inttime: Integration time of the white reference (in ms)

  • dark_inttime: Integration time of the dark reference (in ms)

  • sample_inttime: Integration time of the sample (in ms)

  • white_avgs: Number of averaged measurements for the white reference

  • dark_avgs: Number of averaged measurements for the dark reference

  • sample_avgs: Number of averaged measurements for the sample

  • white_boxcar: Boxcar width for the white reference

  • dark_boxcar: Boxcar width for the dark reference

  • sample_boxcar: Boxcar width for the sample reference

References

https://www.oceanoptics.com/software/

Examples

res <- lr_parse_procspec(system.file("testdata", "procspec_files",
                                     "OceanOptics_Linux.ProcSpec",
                                     package = "lightr"))
head(res$data)
res$metadata

---

Parse SPC binary file

Description

Parse SPC binary file. (Used by CRAIC https://www.microspectra.com/ and OceanOptics https://www.oceanoptics.com/)

Usage

lr_parse_spc(filename)

Arguments

filename

Path of the file to parse

Details

'processed' column computed by official software and provided as is.

Value

A named list of two elements:

• data: a dataframe with columns "wl", "dark", "white", "scope" and "processed", in this order.

• metadata: a character vector with metadata including:

  • user: Name of the spectrometer operator

  • datetime: Timestamp of the recording in format '%Y-%m-%d %H:%M:%S' and UTC timezone. If timezone is missing in source file, UTC time will be assumed (for reproducibility purposes across computers with different localtimes).

  • spec_model: Model of the spectrometer

  • spec_ID: Unique ID of the spectrometer

  • white_inttime: Integration time of the white reference (in ms)

  • dark_inttime: Integration time of the dark reference (in ms)

  • sample_inttime: Integration time of the sample (in ms)

  • white_avgs: Number of averaged measurements for the white reference

  • dark_avgs: Number of averaged measurements for the dark reference

  • sample_avgs: Number of averaged measurements for the sample

  • white_boxcar: Boxcar width for the white reference

  • dark_boxcar: Boxcar width for the dark reference

  • sample_boxcar: Boxcar width for the sample reference

In development

Metadata parsing has not yet been implemented for this file format.

Examples

res <- lr_parse_spc(system.file("testdata", "compare", "CRAIC", "CRAIC.spc",
                                package = "lightr"))
head(res$data)
res$metadata

---

Parse Avantes binary file

Description

Parse Avantes binary file (TRM, ABS, ROH, DRK, REF, RAW8, RFL8 file extensions). https://www.avantes.com/products/spectrometers/

Usage

lr_parse_trm(filename)

lr_parse_abs(filename)

lr_parse_roh(filename)

lr_parse_rfl8(filename, specnum = 1L)

lr_parse_raw8(filename, specnum = 1L)

lr_parse_irr8(filename, specnum = 1L)

Arguments

filename	Path of the file to parse
specnum	Integer representing the position of the spectrum to read in the file. This option only makes sense for AvaSoft8 files and is ignored in the other cases.

Details

'processed' column computed by lightr with the function lr_compute_processed().

Value

A named list of two elements:

• data: a dataframe with columns "wl", "dark", "white", "scope" and "processed", in this order.

• metadata: a character vector with metadata including:

  • user: Name of the spectrometer operator

  • datetime: Timestamp of the recording in format '%Y-%m-%d %H:%M:%S' and UTC timezone. If timezone is missing in source file, UTC time will be assumed (for reproducibility purposes across computers with different localtimes).

  • spec_model: Model of the spectrometer

  • spec_ID: Unique ID of the spectrometer

  • white_inttime: Integration time of the white reference (in ms)

  • dark_inttime: Integration time of the dark reference (in ms)

  • sample_inttime: Integration time of the sample (in ms)

  • white_avgs: Number of averaged measurements for the white reference

  • dark_avgs: Number of averaged measurements for the dark reference

  • sample_avgs: Number of averaged measurements for the sample

  • white_boxcar: Boxcar width for the white reference

  • dark_boxcar: Boxcar width for the dark reference

  • sample_boxcar: Boxcar width for the sample reference

Examples

res_trm <- lr_parse_trm(
  system.file("testdata", "avantes_trans.TRM", package = "lightr")
)
head(res_trm$data)
res_trm$metadata

res_roh <- lr_parse_roh(
  system.file("testdata", "avantes_reflect.ROH", package = "lightr")
)
head(res_roh$data)
res_roh$metadata

# This parser has a unique `specnum` argument
res_rfl8_1 <- lr_parse_rfl8(
  system.file("testdata", "compare", "Avantes", "feather.RFL8", package = "lightr"),
  specnum = 1
)
head(res_rfl8_1$data)
res_rfl8_1$metadata

res_rfl8_2 <- lr_parse_rfl8(
  system.file("testdata", "compare", "Avantes", "feather.RFL8", package = "lightr"),
  specnum = 2
)
head(res_rfl8_2$data)
res_rfl8_2$metadata

---

Parse Avantes converted file

Description

Parse Avantes converted file. https://www.avantes.com/products/spectrometers/

Usage

lr_parse_ttt(filename)

lr_parse_trt(filename)

Arguments

filename

Path of the file to parse

Details

'processed' column computed by official software and provided as is.

Value

A named list of two elements:

• data: a dataframe with columns "wl", "dark", "white", "scope" and "processed", in this order.

• metadata: a character vector with metadata including:

  • user: Name of the spectrometer operator

  • datetime: Timestamp of the recording in format '%Y-%m-%d %H:%M:%S' and UTC timezone. If timezone is missing in source file, UTC time will be assumed (for reproducibility purposes across computers with different localtimes).

  • spec_model: Model of the spectrometer

  • spec_ID: Unique ID of the spectrometer

  • white_inttime: Integration time of the white reference (in ms)

  • dark_inttime: Integration time of the dark reference (in ms)

  • sample_inttime: Integration time of the sample (in ms)

  • white_avgs: Number of averaged measurements for the white reference

  • dark_avgs: Number of averaged measurements for the dark reference

  • sample_avgs: Number of averaged measurements for the sample

  • white_boxcar: Boxcar width for the white reference

  • dark_boxcar: Boxcar width for the dark reference

  • sample_boxcar: Boxcar width for the sample reference

Examples

res_ttt <- lr_parse_ttt(
  system.file("testdata", "avantes_export.ttt", package = "lightr")
)
head(res_ttt$data)
res_ttt$metadata

res_trt <- lr_parse_trt(
  system.file("testdata", "avantes_export2.trt", package = "lightr")
)
head(res_trt$data)
res_trt$metadata

---