API: R1ρ

NMRAnalysis.R1rho.r1rhoFunction
r1rho(directory_path=""; minvSL=250, maxvSL=1e6, scalefactor=:automatic)
r1rho(filenames::Vector{String}; minvSL=250, maxvSL=1e6, scalefactor=:automatic)

Launch the R1rho analysis GUI for a given directory or experiment folder.

  • directory_path: Path to the experiment folder or parent directory. If not specified, a dialog will prompt for selection.
  • filenames: Vector of experiment files to analyse.
  • minvSL: Minimum value for on-resonance spin-lock strengths (in Hz). Default is 250 Hz. Set to zero to disable the lower limit. This allows low spin-lock strengths with poor alignment to be excluded from the analysis.
  • maxvSL: Maximum value for on-resonance spin-lock strengths (in Hz). Default is 1 MHz (effectively no upper limit). This allows high spin-lock strengths that may have detuning effects to be excluded from the analysis.
  • scalefactor: Adjusts the size of the display window. By default, this is 2 for high-resolution displays and 1 for low-resolution displays. Omit or set to :automatic to use the default, or provide a numeric value to override.

Example

# analyse experiments 11 and 12
r1rho(["examples/R1rho/11", "examples/R1rho/12"])

# open a dialog to select a directory, and scale the display size by 1.5
r1rho(scalefactor=1.5)

# filter out spin-lock strengths below 500 Hz (e.g. to exclude poorly aligned experiments, 250 Hz is the default)
r1rho("examples/R1rho", minvSL=500)

# filter out spin-lock strengths about 10 kHz (e.g. to exclude data with detuning effects)
r1rho("examples/R1rho", maxvSL=10_000)
source
NMRAnalysis.R1rho.setupR1rhopowersFunction
setupR1rhopowers(calibration_experiment_file="")

Interactively calculate spin-lock power levels (in Watts) for an R1ρ relaxation dispersion experiment, ready to paste into the acquisition software's power list.

  • calibration_experiment_file: Path to a 1D nutation calibration experiment, used to read off the hard pulse length (p1) and power level (pldB1) automatically. If omitted, you are prompted to enter p1 and pldB1 manually.

You are then prompted for the target spin-lock strengths, either as an explicit comma-separated list (in Hz) or, if left blank, a minimum/maximum bound used to filter a built-in default list. Spin-lock strengths above 10 kHz trigger a confirmation prompt, to guard against probe damage.

The resulting powers are shuffled (so that later fitting isn't biased by monotonically ordered spin-lock strengths) and printed together with the corresponding shuffled list of spin-lock strengths, ready to be copied into the experiment setup.

Example

# read pulse calibration from an experiment, then prompt for spin-lock strengths
setupR1rhopowers("examples/calibration/1")

# prompt for pulse parameters and spin-lock strengths interactively
setupR1rhopowers()
source