TopSpin Commands for Spectra Processing
ft - Performs a one-dimensional Fourier Transform on the data.fp - Alias for performing a Fourier Transform.ef - Alias for performing an exponential Fourier Transform.efp - Performs an exponential Fourier Transform followed by phase correction.edmac qfp - Create a new macro named qfp that applies a quadrature sine bell window function (qsin), performs a Fourier Transform, and then phase correction (fp).xfb - Executes a Fourier Transform on both dimensions of a 2D dataset. Variants include xfb n, xf2, and xf1 to focus on specific dimensions or to discard imaginary data.ft3d n - Process 3D data including Fourier Transform, without creating an imaginary file (only 3rrr file in pdata folder).ftnd 0 - Execute NUS reconstruction with Fourier transformation.ftnd 0 nusft - Execute Fourier transformation without NUS reconstruction. Sorts FID’s, leaving blanks where no data was collected (xf2, xfb, ftnd)ftnd 0 nd2d - Leaves FID’s in the acquired order (xf2 only).abs - Performs baseline correction. The parameters absf1 & absf2 specify the range in ppm for the correction.abs1 - Baseline correction specifically for the F1 dimension of a 2D spectrum.abs2 - Baseline correction specifically for the F2 dimension of a 2D spectrum. Do first abs2 and then abs1.tabs3, tabs2, tabs1 - Perform baseline correction in the F3, F2, and F1 axes, respectively.
Phase Correction
.ph - Enters interactive phase correction mode.pk - Applies previously set phase corrections (phc0 and phc1) to the spectrum.apk - Executes automated phase correction, suitable for simple spectra like methanol.apk2d - Automatically performs phase correction on 2D spectra, streamlining the adjustment of both zero-order
and first-order phase settings to optimize spectral clarity and symmetry. Not recommended when water signal is dominant.pknd - Performs a phase correction of data of dimension ≥3D, applying the values of PHC0 and PHC1 only on one dimension.
Window Functions
em - Applies exponential multiplication to the data, used for line broadening.sin - Multiplies the data by a sine window, phase-shifted by π/ssb.qsin - Multiplies the data by a quadrature sine window, similar to sin but typically with different phase adjustments.
Data Extraction and Manipulation
slice - Extract a specific plane from multidimensional data.xht1 - Command to reconstruct the imaginary dimension in F1.xht2 - Command to reconstruct the imaginary dimension in F2.projplp 34 all all 34 and projplp 21 all all 21 - Generates positive projections of the specified dimensions for visualization.projpln 34 all all 340 and projpln 21 all all 210 - Generates the Negative Projection for specified dimensions.rser - Read row from 2D raw data (a series of FIDs) and store as 1D FID (2D,1D).rpl - Read plane from data ≥ 3D and store as 2D data.totxt - save currently displayed region as a text file (1D and 2D)
Miscellaneous Processing
tf3 n; tf2 n; tf1 n - Fourier Transforms the specified dimension in a 3D dataset. The ‘n’ indicates that no imaginary data is generated.edp - Used to access and modify processing parameters in the “PROCPARS” window.4 TDeff 1024 - Set the effective time domain size for the direct dimension in the 4D spectrum. This will allow you to use SI{F4} = 1024
when the spectrum was measured with TD{F4} > 1024. In a similar manner you can change any other parameter in PROCPARS.cplbruk - View and compile Bruker’s AU programs.
Display adjustments
dlp - Save the currently displayed region as default for this processed data.lv or edlev - Manually enter contour levels mode to adjust “level increment” and “number of levels”..gr - Refresh the graphical display.levcalc automatically calculates and sets optimal contour levels based on the signal intensity and
noise characteristics to ensure that the peaks are visible and informative without being overwhelmed by noise.
Use dis2d or dis3d (depending on the dimensionality of your data) to display the spectrum with the
automatically calculated contour levels.clev 0.6 32 - Automatically calculate and set contour levels for 2D data; 0.6 is the factor for calculation and 32 is the number of levels.
Spectrometer Control and Spectra Recording Commands:
sx and ej - Commands used to eject the current sample from the spectrometer.sx <position> - Starts the carousel and inserts the sample at the specified position into the spectrometer.new - Creates a new experiment based on an active one.eda - Switches to the “ACQUPARS” panel to edit acquisition parameters.ased - Same effect as eda? According to documentation: edit acquisition parameters used in pulse program.edasp - Set up nuclei and spectrometer routing.edte - Edit the temperature parameters.loopadj - AU program for optimization of LGAIN (loop gain), LTIME (loop time), etc.ww - Executes automatic matching and tuning of the system.lock - Locks the magnetic field, usually selecting “H2O + D2O” from the dropdown list.topshim gui - Initiates automatic 1D shimming to optimize the magnetic field homogeneity.p1 followed by 1 P1 1 - Configures pulse program settings.atma - Automatically tunes and matches the channels, typically used for 15N and 1H channels.pulsecal - Calculates the length of the 90° hydrogen pulse P1 for 10W.getprosol 1H P1 xW - Sets pulse and power, inserting previously determined value P1 with the appropriate power value.gs - Interactive parameter optimization during acquisition.zg - Starts the experiment, initiating the acquisition of the NMR spectrum.stop - Stops the measurement process.pulse <x>W - Recalculates the pulse for <x> Watt.