LEGACY · FAQ
Answers alongside the spectrum.
Find a question or explore the topics. These answers accompany the offline guide in Legacy 2.6.1.
Open the complete guide ↗Getting started and access
What does DiffAtOnce Legacy retain from the original application?
It retains the workflow spectrum → resonance → attenuation → diffusion → shape and size. The spectrum is central to the analysis, and each resonance has its own points, exclusions and calculations for each ramp.
The improvements let you inspect local maxima, conditions, models and reports. D, Rh and apparent mass are distinct results: a ppm match, good fit or shape illustration alone does not confirm molecular identity or geometry.
How do I install and launch the application on Windows?
Download the ZIP for 64-bit Windows, extract the entire folder and open its launcher. Keep the executable, libraries, data and documents together; moving only the executable leaves necessary components behind.
The package includes the .NET 10 runtime. You do not need a separate .NET installation or Office to calculate or export reports. If it does not start, first check that you extracted the entire folder and are using the Windows x64 distribution.
I requested registration: why can I still not calculate?
Registration is manual by default. Submitting the request does not grant approval: the administrator must authorize that installation through the portal.
Review the status displayed by the application and check access again once it has been approved. An open project or available help does not mean that the licence is active. Approving an installation enables use of the program; it does not validate scientific results.
Can I work without an internet connection?
A signed authorization allows work during the configured offline period: 24 hours by default, administratively configurable from 1 to 168 hours. Check the displayed status and remaining period; reopening the program does not renew authorization.
The licence is checked at startup and every 15 minutes, and validity is reviewed every minute. Integrated help can be read offline. If authorization expires, save and retain your work and review access when connectivity returns.
Does blocking or an expired licence delete my project?
Neither deletes experimental files or projects. Save a recoverable copy and retain the originals. Recovering a file and approving a licence are separate processes; reopening the project does not alter authorization status.
Review the displayed reason and status and contact administration where appropriate. Do not change the clock, signature or licence files to simulate approval.
How are licensing and the privacy of my scientific data related?
Analysis uses your local files. Access control checks authorization for the installation; it does not need to transmit spectra or issue commands affecting your scientific data. Blocking does not delete those files.
Projects and reports may contain notes, labels, conditions and provenance that you saved. Review their contents before sharing and retain your own backups. A licence signature or file hash does not certify the chemical accuracy of an analysis.
Data and gradient ramps
Which Bruker folder or file should I import?
The reader uses processed data: 1r/procs or pseudo2D 2rr/procs/proc2s. It does not process raw FIDs. Under Proyecto → Opciones de importación Bruker, review the processing number, GPZ index and gradient-list units.
For pseudo2D data, confirm that the indirect axis represents diffusion and that every row has its associated gradient. Review diagnostics and padding rows; finding 2rr alone does not identify an experiment as DOSY.
Must ramps run from 10 to 32 or always contain 23 points?
No. They may start at 1, contain 22 acquisitions or have another length. The application proposes ramps from acquisition metadata and gradient restarts and retains the association with each actual experiment.
In Espectros, review the candidates and press Usar serie. Check boundaries, nucleus, pulse program and timing before calculating. Do not combine incompatible blocks to complete a ramp; each resonance and ramp retain their own settings and results.
What should I do about missing gradients or a mixed-series warning?
Select a compatible series before calculating. For a missing gradient, review the GPZ index, list and units or enter an explicit documented value. The initial index is GPZ[6], but your sequence may use another entry.
Do not substitute zero for a missing value or infer units from magnitude. Retain excluded acquisitions for review; the warning prevents mixing pulse programs or timing that do not describe the same fit.
Peaks and fitting
How do I select a point to track a resonance?
Enable Seleccionar resonancias and click the signal in the spectrum. The click snaps to the highest original sample within a small horizontal neighbourhood in the view. You can enter ppm manually or click an existing line to select a resonance already created.
Inspect the glowing point and its local neighbourhood. Tracking finds the highest original intensity within each spectrum's window; it does not follow the global maximum. Zoom in when nearby signals make clicking difficult.
The marker sits on a flank: how do I move it to the correct crest?
Review the reference spectrum and window under Punto monitorizado y ventana. If the stored centre is on a flank, explicitly use Centrar en cima. Use Volver a localizar to apply a different tracking window.
These operations re-extract maxima, retain history, gradients and manual exclusions, and require a tail review and recalculation. Narrow the neighbourhood if a taller neighbouring signal is present. A crest is not invented when original spectra are unavailable.
Does changing the visual reference alter D, Rh or the intensity used?
Switching only between Automático and Referencia fija changes the point you inspect. Automático shows the highest local maximum among included spectra; Referencia fija lets you choose an experiment. This visual selection does not alter intensities, exclusions, D, Rh or mass.
Volver a localizar and Centrar en cima do re-extract data. Reports distinguish I espectral original from I utilizada, which may have been edited. Review the fit and recalculate after re-extraction.
The signal attenuates and then stays near zero: is the whole tail discarded?
Revisar cola proposes excluding a terminal region consistent with a signal floor or noise. The criterion depends on the data; it does not impose a universal cutoff at 0.5 on the attenuation plot's horizontal axis.
Inspect the diagnostic and residuals. A positive plateau or gentle curvature may indicate overlap or more than one component and is not removed merely to increase R². You can declare a manual relative threshold and use Restaurar cola to reverse automatic exclusions.
Can I include or exclude points manually without losing the originals?
Yes. Click a point in the attenuation plot to change its inclusion. You can also review intensity and gradient in the table. Selection is retained for each resonance and ramp, and original points remain available.
Manual exclusions are independent of automatic tail review. Changing data or selection invalidates the previous fit: recalculate before interpreting or exporting. Non-positive intensity requires checking phase, baseline and signal; do not force the logarithm by changing its sign.
Corrections and models
What should I review before calculating D or applying corrections?
Check the active ramp, included points, nucleus, pulse sequence, timing, gradient shape and calibration. The absolute route requires a calibrated maximum gradient; the external-reference route needs a standard and compatible conditions.
Review temperature and viscosity and apply only appropriate corrections. Reference, temperature and viscosity factors remain separate; do not reapply a correction already incorporated. The effective result conditions are the conditions that should accompany D and Rh.
Can the application suggest solvent, TTMS, TSP or TMS as an internal standard?
Sugerir patrón interno… compares library candidates compatible with the nucleus and matrix, including solvent, TTMS, TSP and TMS. It is a proposal for you to confirm, not an automatic identity assignment.
Inspect companion signals, windows, overlap and reference conditions. A signal near zero does not establish TMS or TTMS. Also check that the reference correction was not already applied to the result you intend to use.
How can I rationally choose a sphere, cylinder or ellipsoid?
Under Sugerir forma…, provide dimensions or structural information with its provenance. Review anisotropy, symmetry and the approximation's limitations before applying it. A spectral family supplies context but does not automatically select geometry.
A scalar D or isolated ppm does not determine a unique shape. For flexible chains or branched structures, explain which conformation or equivalent solid you are representing. Rh is an equivalent radius under the selected model and conditions.
Why can the ellipsoid look like a sphere?
The illustration responds to Q, defined in the guide as the semiaxis ratio. At Q equal to 1 it represents the spherical limit; values close to 1 can look little different from a sphere.
Check the applied parameter and model before interpreting the image. An elongated or flattened ellipsoid should correspond to appropriate geometric evidence, rather than a value chosen solely to make the illustration look different.
What does convergence of Wirtz or Chen mean?
It means the iteration met its numerical criterion with the specified parameters. Inspect solvent radius, shape model, factor and iteration history. Numerical convergence does not show that the correction is physically applicable to your sample.
The estimate changes with the selected microfriction model. A non-converged result is not presented as a valid final number; its provisional history remains available. Retain the model and conditions when saving or exporting.
Do molecular zones identify my molecule definitively?
Zonas moleculares, Zonas y tipos… and Moléculas y picos help compare ppm, nucleus and solvent with documented zones, families and references. Their intervals may overlap, and the search margin is distinguished from the published interval.
Check companion signals, multiplicity and matrix. A match or several compatible windows do not confirm identity or connectivity. Saving a label is an explicit decision for each resonance and does not change D, Rh, the shape parameter or mass estimate.
What do I need for a mass estimate, and why is a number sometimes unavailable?
You need a resonance and ramp with current D and a calibration whose applicability you have reviewed. Alta dilución allows PS or PPG. A concentración uses the historical common model of PS origin and requires solute and solvent masses in mg.
The output is apparent molecular mass, not Mn, Mw or PDI. Conditions come from that ramp's calculation. An unsupported, stale or unsolvable result does not receive an invented mass. Curve sensitivity and the partial fitting error are not a total experimental uncertainty.
Reports and projects
Which report should I choose, and how do I open a PS file?
PDF and PS provide a vector report with multiple pages. PS is authentic PostScript and needs a compatible viewer or printing workflow; exporting it does not require Office or Adobe. EPS contains one vector plot on a single page, and a spectrum plot requires available spectral data.
Excel organizes data into eight sheets. CSV retains intensities, gradients and selection; keep its .metadata.json too. Export the current calculation for the chosen resonance and ramp. If the report rejects edited data, recalculate before trying again.
What does Guardar retain, and why can an old result reappear?
Guardar retains a versioned JSON project: spectra, resonances, selections, editable values, results per ramp, labels, decisions, history and hashes. Reopening restores that state; saving a draft does not automatically update its calculations.
If you changed data, selection or parameters affecting the analysis, recalculate before interpreting or exporting. Also check the active ramp. Retain originals and a recoverable project copy; a hash verifies file integrity, not calibration.
How do I use the light theme and English help?
You can change the theme in the sidebar; the preference is remembered without altering spectra or results. Help is available in Spanish and English, while the main interface retains its Spanish controls.
Use Ayuda / Help · ES / EN to open the guide or Preguntas frecuentes / FAQ for these answers. In the help window, choose User guide or Frequently asked questions (FAQ) and switch language with Español / English. Each question offers Read guide to open the related topic.
F1 opens help and Ctrl+F focuses its search. Search ignores case and accents and accepts terms separated by spaces or commas, such as TTMS,TSP. Integrated content can be read offline; changing language or article does not modify your project.
No matches. Try another word or change the topic.
DIFFATONCE / MOLECULAR DIFFUSION
