From your spectrum to the report. Step by step.

Videos: learn, pause and repeat

Each workflow has a separately narrated Spanish and English movie, on the website and in WPF packages that include the player. No copy registration is required to read this public help.

1. Open Workflow videos and choose Prime or ResinAtOnce. Use the website language: Español plays Spanish audio; English plays English audio with its corresponding interface, poster and chapters.
2. Select Play; there is no autoplay. Use chapters to return to a step and CC to select Spanish or English captions synchronized with that movie.
3. Expand Steps, provenance and transcript to read or download the text. Changing captions alone does not change narration; change the page or WPF-player language for another voice.
4. In the application open Vídeos de uso / Workflow videos from Help and select Español or English. If an older copy does not include these media, use the web gallery; do not download executables from unrelated links.
5. Play the step, pause the video and practice in a copy of your project. Check the displayed version: buttons can be positioned differently in an earlier executable.

• Prepare a ramp-based project →
• Standards, temperature and model →
• Review and communicate results →

2D field and lateral-projection components

The spatial Gaussian dictionary reconstructs the 2D view; its atoms are not the lateral-projection component count. Several ppm signals can contribute to the same lateral lobe.

1. Select DOSY or MwOSY and Original or Model to decompose the projection. Use Residual only as a signed diagnostic, not as a positive mixture. Check protocol and source; the total blue curve is not an individual Gaussian.
2. New maps automatically use lateral-modes-v1. For a saved map use Recalculate lateral-projection components and preserve the new decomposition as an explicit review. Opening a file does not replace its historical model.
3. The fit detects lobes by prominence and local support and fits the unsmoothed active projection in log10(D) or log10(M). Three supported lobes can yield three components; three are not always imposed, nor is every 2D atom drawn as another lateral component.
4. Review total, fitted sum, components, signed residual and positive unassigned signal on the same scale. If a broad curve covers both peaks and valleys, compare local support and Original view before accepting it.
5. Advanced settings allow review of prominence, component limit and exploratory manual fitting. The standard maximum is ten, not ten mandatory components. The historical dictionary-marginal-v1 diagnostic remains separate from lobe counting.
6. Select a component to inspect its ppm contributions. Recalculating the projection alone neither reinverts the signal nor changes D or reapplies standards, temperature or molecular calibration. Cancelling retains the previous decomposition.

Export DOSY, MwOSY and attenuations to PNG

Save a high-resolution figure without capturing the whole screen or recalculating the analysis. The PNG preserves the visible framing, representation and theme.

1. Open the completed plot. Select DOSY or MwOSY, Original/Model/Residual, standards, component and zoom. Reset zoom first to show everything; export does not change it automatically.
2. In ResinAtOnce select High-resolution PNG… in DOSY/MwOSY. Use the PNG buttons in Results, Review attenuations or standard review for the other curves.
3. In Local signal · TRAIn / compare, after calculation, use PNG · attenuation… or PNG · distribution…. A pending plot is not exported as a result.
4. The proposed size is 4800 pixels wide at 300 dpi. Choose 2400/150, 7200/600 or a custom size. Height retains the visible plot’s proportions; resize the window first for a taller figure.
5. Review pixel dimensions and physical size before saving. Limits are 512–12000 pixels wide, 72–1200 dpi, 16000 high and 64 million total pixels. Increasing dpi alone does not create more pixels.
6. Choose filename and folder; confirm only if you want to replace an existing PNG. Cancelling creates no figure. For an empty area or excessive-size warning, open and resize the plot, then retry with an admissible size.

Distributions, moments and uncertainty: what to report

Review the distribution and its contract, not just a central D. The shared workbench supports method comparison and saved reviews without overwriting accepted results.

1. Open Scientific workbench from the local signal to retain the same region, observations and factors. Compare methods with identical inputs and protocols, not a local signal against a global band summing other ppm positions.
2. Check whether values are integrated bin amplitudes or densities per linear or logarithmic unit. Record units, boundaries, orientation, support and threshold. Transforming all D→M preserves integrated weights; only density transformations require a Jacobian.
3. Declare number, mass or unknown signal-response weighting. Mn, Mw and dispersity depend on that declaration; M(central D) is a different quantity. Mean Rh also generally differs from Rh at mean D.
4. Compare full workbench support (0%) with historical summaries that may use 1%. The figure’s visual threshold is different. Do not change historical protocols to force agreement or interpret visual Gaussian area as concentration.
5. In Uncertainty document fit, gradients, standard, temperature, viscosity and calibration, with covariances and shared errors where applicable. Empty means unknown: residuals do not automatically replace independent sigma. Stability is sensitivity, not a confidence interval.
6. Explicitly accept and apply a compatible review, keeping the previous one. For a whole-map family profile review equation, units and domain; applying it creates a derived review. Save the project and open the report and exported CSV/contracts to check their review and support.

Resolve a warning and report a reproducible problem

Keep the complete message and context before changing parameters. An access, drawing or export problem is not necessarily a solver failure.

1. If Continue is disabled, read registration status. A pending request requires approval of that copy; a support ticket or researcher account does not authorize it. Check status again after approval.
2. If Copy identifier fails with OpenClipboard, select and manually copy the identifier where possible. Do not change installation identity or delete its files to attempt registration again.
3. If no attenuations are accepted, review phase, noise, signed signal, useful points, b and exclusions. Keep the previous result and attempt diagnostics; do not relax criteria just to produce a figure.
4. If editing and result differ, restore saved settings or calculate a new review. Do not mix another ramp’s result with the editable selection. Retain non-convergence or unknown-noise status in the report.
5. In Support and suggestions specify Prime or ResinAtOnce, version, steps, ramp/ppm region, method, parameters, factors, literal message and screenshot. Attach only a minimal authorized copy, without keys, tokens or personal or confidential experimental data.

Open Support and suggestions → · Read frequently asked questions →

Ramp calculation plan: editing is not selection

Before calculating, check the enabled ramps and the operation you selected. The visible ramp is the editing context, not necessarily the whole plan.

1. In Project and batch review preparation, source folder, experiments, ramp boundaries, gradients and d20. The same sample label does not establish that two preparations are equivalent.
2. Use Calculate this ramp to include or exclude that row from the plan. Changing the EDITING row only changes the context available for review; it does not disable the other ramps.
3. Distinguish calculating the current ramp from resin-wide or batch actions. A resin-wide calculation includes enabled ramps from its source folder; a batch includes the enabled batch rows.
4. The entire plan is validated before starting. If a ramp needs review, the log identifies the reason and that plan does not start. When Plan confirmed: 4 ramps appears, check that these are the four you intend to calculate.
5. Each run retains a snapshot of parameters and conditions. On completion, check Completed, Error, Cancelled or Not executed for each destination; four output files do not imply four accepted analyses.
6. Cancel stops pending work and retains earlier complete runs. Review the batch-report scope and states before using an average or exporting conclusions.

Standards, temperature and viscosity: check the applied factor

Standard identity, its factor and thermal correction are separate decisions. Review their conditions in each ramp before recalculating.

1. In Internal standards review the original signal, region, local fit, documented Rh, solvent and evidence. Confirming a ppm match alone proves neither TTMS identity nor transferability of its Rh to this matrix.
2. Choose One primary + the others as controls or Consensus of all enabled standards. Consensus uses the geometric mean of factors, not each peak intensity. Pairwise disagreement above 10% blocks correction and requires standard review; it does not establish which standard is correct.
3. To work without a standard choose Use D without an internal standard. It disables this ramp's standards without deleting their evidence; fRef becomes 1 and the thermal option is unchanged. Recalculate and check No internal standard in results and the report.
4. Check acquired TE, its range and output temperature; if valid TE is missing, explicitly select manual temperature. Empirical normalization uses fT = Toutput / Tacquired. Within-ramp drift is not removed by using a mean temperature.
5. The historical ResinAtOnce native workflow uses fixed reference viscosity, 0.000584794653074285 Pa·s, documented at 293 K for its ¹H/CDCl₃ model. Do not confuse it with an η(T) curve or a measured solution viscosity. Changing T does not automatically measure η(T); check the saved protocol before comparing with Prime.
6. The principal KK2 result jointly applies fTTMS = expected DTTMS(T) / measured DTTMS and fT = 293 / T. Check the three factors per block and their single application to the complete axis, with Rh, masses and moments recalculated; do not correct an already corrected distribution again.
7. For TBO retain the shared TBO_HDO_20260904 experimental calibration: HDO slope 1.58627, Δ = 50 ms, δ = 1.20 ms and SMSQ10.100. Do not replace it with the nominal gradient to force agreement with an earlier table.

Title weighings and older results: retain provenance

The concentration model needs the actual preparation for each ramp. Saved results retain their own conditions, even when you are editing different ones.

1. Use Read preparation to review the ramp titles. Two weighings with mg or g units are sought, in the order solute followed by solute + solvent; they may appear anywhere in the text. Dates, temperatures and experiment numbers are not interpreted as masses.
2. Example: 20 mg solute and 420 mg total mass correspond to 400 mg solvent and C = 20 / 400 = 0.05 mg/mg. The second weighing is total mass, not net solvent; C is neither a percentage nor mg/mL.
3. If no unambiguous pair is available, do not invent amounts. Review fields without data before using concentration. A proposal from an earlier survey title outside the ramp requires confirmation; another diffusion ramp's weighings are not borrowed automatically.
4. If a ramp's titles contain conflicting preparations, separate the experiments and read them again. After changing series boundaries, review or confirm the weighings again. Amounts from older projects may require confirmation before a new calculation.
5. In Molecular weight analysis distinguish the high-dilution PS or PPG curves from the shared empirical concentration model developed with PS. Review its ¹H/CDCl₃ domain and architectural applicability; do not force a mass when compatible conditions are missing.
6. Result and editing do not match means the displayed result belongs to another configuration or acquisition. Open its saved context for review or calculate a new revision from current edits; do not relabel earlier results as new or rescale them to match previous tables.
7. If an older version reports Distribution declarations are not bound to the saved source summary, retain the failed outputs, open a complete updated package and recalculate as a new revision. Do not edit hashes or delete distribution_contracts.json to bypass verification; installing a new version does not accept earlier failed outputs.

01 · Your first measurement

Goal: obtain a reviewable result without confusing new settings with an earlier saved result.

1. Open a project or select the Bruker acquisition folder. Check the preparation name and available ramps.
2. Review spectrum, nucleus, solvent, sequence, gradients, d20 and temperature. Select signals by ppm in this acquisition.
3. Give each signal its role: resin, reactive diluent, additive, impurity or solvent. Review standards or choose to work without an internal standard.
4. Choose engine, method and mass model. If motion is suspected, open Diffusion and flow before treating results as final.
5. Press Calculate and review attenuations, residuals and distributions. Then open Results and report and generate the document for the required scope.

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02 · Opening, updating and choosing an engine

ResinAtOnce is a research WPF application for 64-bit Windows. This guide describes 0.50.1.

1. If the team has supplied a package, extract the complete folder and open ResinAtOnce.exe. Do not copy only the executable: its libraries, documentation and any included local models are required.
2. Update into a new folder and retain previous projects and results. Never replace experimental acquisitions or start a second instance on the same running calculation.
3. The native C# and diffusion-inversion · C# API engines run their included methods locally, without MATLAB or Python. Retain the package libraries. Only the MATLAB engine requires a compatible MATLAB installation and configured path.
4. Select Spanish or English and an appropriate resource profile. Local Beatrix queries may take longer than documentary guidance; use Cancel to release resources when needed.

03 · Project, preparation and ramps

Each ramp must retain its acquisition identity and preparation conditions.

1. In Project and batch, select the Bruker folder and review the experiment list. Check title, nucleus and sequence; a similar name is not evidence of equivalence.
2. Check ramp boundaries, gradient resets and d20. Do not automatically merge experiments with different times or preparations.
3. Enter solute and solvent masses in mg for each preparation. Check whether a weighing is cumulative before treating it as net mass.
4. Save the project. When preparing a batch, review propagated signals and standards in each destination; spectral indices are not transferable between acquisitions.

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04 · Spectrum, signals and role in the resin

Select regions representing the resin and distinguish formulation components.

1. In Spectrum and signals, inspect phase, baseline, resolution and overlap. Zoom to the maximum and review the region before adding a signal.
2. Label each signal and review its ppm position and extraction interval. Do not automatically reuse indices from another sample.
3. Choose its formulation role. Resin signals can contribute to the polymer summary; diluents, additives, impurities and solvents stay separate. Review historical signals with a pending role.
4. Use Beatrix suggestions to investigate alternatives and companion signals. A ppm match neither confirms a species nor authorizes a standard.

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05 · Encoding, units and temperature

The diffusion axis depends on the pulse sequence and gradient calibration, not only on fit appearance.

1. Check probe, gradient shape, pulse durations and diffusion time used to calculate b. Check units before entering an absolute gradient.
2. Use the experimental calibration for the probe and sequence. Do not replace a measured calibration with a nominal value to force agreement.
3. Review acquired temperature and the selected thermal correction. If applying a standard and temperature, inspect the separate factors and their product; never apply the thermal factor twice.
4. Measured D, normalized D and apparent mass are different quantities. Retain factors and conditions alongside the result.

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06 · With an internal standard… or without one

You may use reviewed standards or calculate D without an internal standard, explicitly recording that choice.

1. With a standard: identify the signal and check its region, overlaps, attenuation and expected-value conditions. Confirm the required review; a suggestion does not confirm it for you.
2. Several standards may be present. Review which are active and primary, or how they are combined. Each retains its local fit and warnings.
3. Without a standard: in Molecular weight analysis press Use D without internal standard · this ramp. Standards are disabled, not deleted, and fRef becomes 1. The thermal option does not change automatically.
4. Press Calculate after changing this option. Check that results, map and report say No internal standard. To use a standard again, enable it, review its data and recalculate.

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07 · Choosing PS, PPG or concentration

There are two high-dilution curves and one shared empirical concentration model. These are distinct choices.

1. Select PS · high dilution or PPG · high dilution for the calibration you intend to apply. Both are high-dilution curves, not two concentration corrections.
2. For the concentration system choose Concentration · shared empirical model (PS origin). It uses Dη(c) = Dη∞ exp[k(M) C^ν], with application-traced parameters.
3. C is solute mass / solvent mass in mg/mg. It is neither mg/mL nor solute mass / total mass. Check both weighings before calculation.
4. The shared model was developed with PS. Applying it to other families is an approximation requiring review; choosing the PPG high-dilution curve does not create a validated PPG concentration law.
5. Check solvent, viscosity, output temperature and model domain. If compatible conditions are missing, retain D rather than forcing a mass conversion.

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08 · Calculating and reviewing inversion

Choose the complexity supported by the attenuation data, not the most attractive curve.

1. Review engine, method, D range and grid size. Start with the recommended settings and open advanced mode when method-specific control is needed.
2. Press Calculate and monitor the activity bar. Do not start overlapping jobs; Cancel preserves earlier complete outputs, not partial results as final ones.
3. Compare signal and fit, residuals, phase when available, grid sensitivity and convergence. Review resolution limits before interpreting widths.
4. Do not increase a tolerance just to obtain a passing label. A fit requiring review remains exploratory even when its visual residual looks small.

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09 · Is there convection? Diagnosis and next step

Open Diffusion and flow. The first decision is the operational signal diagnosis; detecting flow is not correcting it.

1. Select ramps from the same preparation and press Analyze convection. Sample and standards are assessed separately.
2. Read Convection detected, No detectable convection, or the warning that a decision cannot be made. No detectable convection does not establish absolute absence or a known detection limit.
3. Open the curves and compare Dapp versus d20, real and imaginary attenuation, phase and residuals. Review extraction, noise and alternative models before interpreting a change as exclusively convective.
4. If convection is not detected and other checks are adequate, continue the analysis. If detected or undecidable, follow correction/review guidance; the uncorrected diagnosis can be exported.

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10 · Taking a correction into results and reports

There are two possible origins: a convection-free control acquisition or physical inversion of the affected acquisition. They are not equivalent.

1. Control route: select a convection-free acquisition of the same preparation. Review composition, concentration, ppm region and conditions. Do not copy D from another sample because it looks similar.
2. Calculate control D and check stability. This preliminary D is not automatically the mean D of a distribution and does not by itself recalculate all masses.
3. In the application-connected guide press Recalculate final results and report. Control attenuations are processed and distribution, D, Rh, apparent masses and moments are recalculated, with standards and temperature reviewed.
4. Expert physical route: review motion encoding/first moments, noise, stability, prediction, standards and justification. An empty JSON template or a checkbox does not supply that evidence.
5. Only a computed eligible revision can be applied to final results. Check the active table and report: they must record original convection and whether values originate from the control or a physical correction.

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11 · Calculating a DOSY / MwOSY map

The map links ppm to D or apparent mass. Changing the axis does not turn a hypothesis into an identity.

1. Open DOSY / MwOSY and confirm the source: the edited ramp or the displayed-result acquisition, when available. Check its provenance label.
2. In Parameters, review ppm range, excluded solvent regions, engine and method. Implemented TRAIn-MF, MF-NNLS256, RAI-S, DOME-S and SILT variants are available; inspect their specific options.
3. Use the fast profile to explore and check the effect of points-per-bin averaging before finer review. Rank r describes numerical factors, not species count.
4. Press Calculate map. Review attenuations: too few useful points or signal below noise may require omission or discrete treatment; do not force a continuous distribution.
5. Choose DOSY · D, MwOSY · PS/PPG high dilution or shared concentration. Review standard and temperature. Fit to signals frames both axes; Full range also shows empty regions.

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12 · Modeling, projection and band assignments

Decomposition uses the active representation, Original or Model, not a different view from the one displayed.

1. The Gaussian field is calculated automatically by default. Advanced options let you disable it or switch between Original and Model; projection is recalculated for that source.
2. The model preserves unmodelled signal and keeps discrete support separate. Compare residuals and warnings: smoothing cannot recover missing information or turn visual width into physical dispersity.
3. Click a side curve or choose a band, then select a map maximum. The highlighted band shows its estimated contribution and associated ppm maxima.
4. Hover to see peak D, mean D and mean Rh, or peak mass, mean mass and conditional PDI for the chosen scale. Distinguish these global statistics from the local-signal review.
5. Beatrix prioritizes documented polyester and alkyd fragments, then diluents and impurities. Open a candidate to review companions and sources. Phthalate may be resin or plasticizer; DPG does not identify PPG and aromatics do not identify PS.

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13 · Beatrix, sources and consistent suggestions

Guidance follows the active window and selected peak. Its role is to guide review, not alter the experiment.

1. Use Live help/F1 for documentation and Explain / ask or Beatrix for a contextual query. Ask specific questions: what is missing, what a band represents, or why a revision cannot be applied.
2. When hovering or selecting a peak, compare candidates, companions, nucleus and solvent. In DOSY/MwOSY the tooltip, panel and query use the same candidates for the active cross-peak.
3. Open Evidence, details and sources. The knowledge base includes resin regions and solvent-specific ¹H/¹³C impurity tables. Proton DOSY proposals are not transferred to ¹³C.
4. In Contextual suggestions you can review history, show advice, enable or pause cards and pause for ten minutes. Historical suggestions are not applied to another ramp.
5. Documentary guidance does not pretend to be a model-generated answer. If a calculation is busy, wait or cancel; a query must not change signals, roles, standards or parameters.
6. Local inference requires matching model, corpus and manifest. A checksum mismatch blocks it; rules and documentation remain available. Use a matching package rather than bypassing the integrity check.

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14 · Distributions and components

Distinguish quantitative distribution review from the descriptive Gaussian field of a DOSY map.

1. Open Distributions and load complete results. Review acquisition, signal, D/Mw scale and the displayed distribution.
2. Inspect components and their selection, moments and limits. A numerical component does not itself identify a molecule.
3. After changing a component or summary inclusion, use the explicit action to save/apply the revision to results and reports. A view change is insufficient.
4. Check the final table and report scope after updating. Retain the earlier revision for comparison, without mixing both as independent replicates.

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15 · Results, batch and DOCX report

The report must state what was calculated, which acquisition was used and which corrections were actually applied.

1. In Results and report check the saved acquisition, ramp and settings. Result and editing do not match means the displayed output differs from the settings being edited.
2. To resolve it, load that result’s settings to reproduce it, or recalculate from the current edits. Do not copy or rename an earlier table as a new result.
3. Choose the view/scope: resin table, ramp summary or batch summary. Review included resin signals; different conditions must not be mixed into one average.
4. Select language and generate the DOCX. Verify D, Rh, apparent mass, moments, standard warnings and the origin of any convection correction.
5. For DOSY/MwOSY use Export figure and data and retain the projection revision. Keep project, exported data and manifests together; an image alone does not preserve all provenance.

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16 · When something does not behave as expected

Start with context and the visible message; do not force a scientific requirement by changing a number.

1. Cannot correct: open the Diffusion and flow guide and check your route. Importing first moments does not resolve pending noise, standards or instability. Without a valid control or identifiable model, export the diagnosis.
2. Empty map or missing signals: review source, ppm range, exclusions, detector and visual threshold. Compare Original/Model and mass domain. Do not lower the threshold to interpret noise as a species.
3. A standard seems to have another Rh: open Check references and local D. A global-band moment is not the local TTMS fit; review factors, viscosity and temperature before comparing.
4. Calculation is slow: check engine, resolution, starts, iterations and search options. Try a relevant spectral range and fast profile; then verify that averaging does not change interpretation.
5. Unexpected Beatrix proposal: check selected peak/band, nucleus and solvent; open sources and alternatives. No match does not establish absence.
6. Problem persists: retain app version, full message, parameters, reproduction steps and a screenshot. Share only authorized data; never publish credentials or private experiments.

17 · Local consistency and shared audit

ResinAtOnce 0.48.1 and Prime 0.12.5 share core fixes; the resin workflow retains its own roles and boundaries.

1. To compare TRAIn and DOSY use the same bin or range, binning, acquisitions, b, grid and parameters. Compare measured D first, then reference and temperature factors. A global band is not a local signal.
2. After changing a selection or cancelling an attempt, check context and status before adding results. An incomplete calculation must not retain an earlier graph as if it were new.
3. Component separation rejects nonfinite inputs, negative weights and non-increasing D grids. The concentration model retains the κ(M) segment change at 117,000 Da without interpolating through a nonrepresentable gap.
4. Review JSON files are replaced atomically, leaving a .bak copy of the previous file. Verify final status and the export manifest; do not treat a partial or cancelled batch as a completed report.