# Peak fitting connects diverse research workflows

**PeakFit and PeakLab appear in research that turns overlapping experimental signals into measurable components.** The strongest recovered examples document spectral decomposition, chromatographic quantification, diffraction analysis and thermal-curve interpretation. PeakFit has a longer historical literature represented here by studies of cellulose, food proteins, polymers, pharmaceutical mixtures, coal, minerals and biological heat-flow curves. The recovered PeakLab evidence is smaller and more recent: it includes chromatography comparisons, cellulose photoacoustic spectroscopy, ion-mobility resolution checks and a separations methods article. These applications support a useful account of research use across domains, while **publication candidates, documented methods, acknowledgements and vendor capability claims remain separate categories**. This report describes the supplied saved-search collection and selected primary-source checks; it is not an exhaustive census of every publication worldwide or a list of customers.

Research snapshot: **October 5, 2026**. The searchable files, provenance, evidence records and publication links accompany this report in the knowledge-base package. Numerical collection statistics are generated from the final database below so that this document agrees with its downloadable data.

## The collection measures discoverable evidence, not market adoption

The supplied folder contains saved Google Scholar result pages for PeakFit and PeakLab. Parsing recovered **50 HTML pages, 500 result rows and 497 unique publication candidates** after duplicate handling. Search buckets identify the query that found a record; they do not establish which commercial product a paper used. A saved search for PeakLab can return an atmospheric research facility, while a search for PeakFit can return an unrelated MATLAB function or a Python package. The collection therefore retains the search provenance alongside product-identity status, source links, bibliographic metadata and separately reviewed contextual cases.

The coverage is bounded by the supplied pages. It does not represent all Scholar results, all languages, every proprietary database or every paper that used the software without naming it in searchable text. Search ranking and snippets are a discovery mechanism. An apparent match becomes stronger evidence when a primary article explicitly identifies a commercial vendor, version, model or data-processing step. A full methods paragraph is more informative than a title-only mention, and a recovered publisher abstract is more informative than a generic keyword match. These differences matter when the material is adapted for marketing: a statement about a particular study can be supported even when a claim about thousands of users cannot.

The knowledge base separates several evidence levels. **Primary full-text use** indicates that retrieved article text documents a processing or analysis role. **Primary indexed excerpts** indicate that a publisher or repository search excerpt supports a role, but the complete relevant methods were not independently recovered. **Primary abstracts** can establish a stated application while leaving model settings unavailable. The LCGC article is a trade methods demonstration and is labelled accordingly. An acknowledgement that an author received PeakLab and discussed peak characterization does not establish a fully specified PeakLab analysis pipeline. Vendor pages describe capabilities and development relationships; they are not independent adoption statistics.

The case appendix records the input signal, task, output parameters, software version when explicit, evidence location, source URLs, affiliations and limitations. Supplemental cases discovered during checking are retained outside the supplied-candidate totals. Joining a case to a saved record does not turn every other hit from the same query into a verified use. Exact-title and DOI joins are preferable to casual author-name resemblance. Missing versions, affiliations and countries stay missing rather than being inferred from an article language, publisher address or experimental location.

Bibliographic enrichment adds a different layer. Crossref and OpenAlex matches help identify titles, publication years, author lists and publication affiliations. Their country codes describe the geography of associated research metadata. They are not verified software deployment locations. A multinational paper can contribute to more than one country; the resulting country totals overlap and must not be added as if they were independent publications. Similarly, distinct raw affiliation strings can represent departments of one university, alternate names of an institution or multiple collaborating organizations. Organization entries therefore support discovery and source inspection rather than a legal-entity customer count.

## PeakFit supports measurement across spectroscopy, materials and food

The recurring PeakFit role is a quantitative bridge between an instrument trace and a scientific comparison. Researchers choose an analysis region, account for background, fit a set of components and compare positions, widths, integrated areas or relative component contributions. They then interpret those measurements using chemistry, crystallography, processing conditions or independent experiments. **Peak fitting measures a chosen representation of the signal; it does not automatically identify a unique material structure or mechanism.** This distinction appears repeatedly across the primary examples.

### Diffraction separates crystalline and amorphous contributions

Cotton diffraction provides an early, explicit example. Chen, Jakes and Foreman fitted diffuse cotton-fiber powder X-ray diffraction spectra with Gaussian components and residual peak fitting. Their publisher abstract reports independent-fit precision of 0.002–0.014 degrees in 2θ for peak positions. This is a study-specific result for those spectra and procedures, rather than a universal precision specification for PeakFit. It shows why textile and cellulose researchers use component analysis when broad, overlapping reflections make direct peak reading difficult. ([Cotton diffraction study](https://onlinelibrary.wiley.com/doi/abs/10.1002/app.20666))

Cellulose crystallinity is a second important theme. Park and colleagues compared measurement techniques and used Gaussian crystalline components together with a broad amorphous contribution near 21.5 degrees to calculate an area-based crystallinity index. Their work warns that crystallinity indices depend on the measurement approach. A fraction computed from fitted diffraction areas should therefore be compared with values produced by a compatible procedure, rather than treated as interchangeable with every other reported crystallinity measure. The affiliation context includes the National Renewable Energy Laboratory and North Carolina State University at publication time. ([Cellulose crystallinity methods comparison](https://link.springer.com/article/10.1186/1754-6834-3-10))

In cellulose nanopaper research, Mao and colleagues used diffraction decomposition into crystalline components and an amorphous contribution to characterize crystallinity while investigating mechanical toughening. PeakFit supported the structural measurement; tensile testing supplied separate mechanical evidence. A materials webpage can accurately present this as analysis of cellulose structure in a toughness study, while avoiding the implication that the software itself measured toughness or discovered a mechanism automatically. ([Cellulose nanopaper study](https://link.springer.com/article/10.1007/s10570-017-1453-0))

The same area-based logic appears in corn-starch/zeaxanthin composites. PeakFit 4.0 separates crystalline diffraction area from amorphous area before calculating relative crystallinity. The paper's affiliations span Yangzhou University and the University of Queensland, documenting collaboration between research organizations in China and Australia. The scientific endpoint concerns structural characterization of those composites, not a transferable assay validation for all starch products. ([Corn-starch/zeaxanthin study](https://pmc.ncbi.nlm.nih.gov/articles/PMC10216910/))

Mineral studies use diffraction fitting for different outputs. Gleason, Jeanloz and Kunz used Jandel PeakFit in a cross-check of lattice parameters against GSAS analysis for FeOOH under pressure and temperature. The supported role is diffraction peak fitting. Equation-of-state calculations and the interpretation of pressure-temperature stability should remain attributed to the appropriate separate methods. A bentonite carbonation study also identifies PeakFit in semiquantitative XRD analysis of calcite formation. Its Tasikmalaya experimental context should not be converted into evidence of industrial carbon-capture deployment or a verified institutional country when affiliations were not recovered. ([FeOOH study](https://digital.library.unt.edu/ark%3A/67531/metadc932974/), [Bentonite carbonation study](https://jrisetgeotam.brin.go.id/index.php/jrisgeotam/article/view/401))

### Raman and infrared components support structural comparisons

Raman peak positions and widths are useful because they can be compared across pressure, temperature or composition. A chibaite study used background-subtracted Lorentzian–Gaussian fitting and the Gauss–Lorentz area method to recover band positions and full widths at half maximum. The publication prints a PeakFit version as 4.1.2, which the knowledge base preserves rather than silently changing to 4.12. Structural interpretations also rely on single-crystal diffraction, so the example demonstrates the contribution of fitting within a multimethod investigation. ([Chibaite host–guest structure study](https://journals.iucr.org/m/issues/2018/05/00/lt5009/))

Researchers studying poly(vinyl methyl ether) hydrogels normalized Raman spectra to unit area and decomposed the OH stretching region into four components. The component intensities supported comparisons of water states below freezing. The paper combines Raman analysis with dielectric spectroscopy and calorimetry. Accordingly, the defensible product benefit is repeatable quantification of overlapping spectral contributions under an explicitly chosen interpretation, rather than automatic determination of the physical state of water. ([Hydrogel water-state study](https://link.springer.com/article/10.1007/s00396-014-3283-z))

High-pressure mineral research provides further applications. PeakFit is identified in Raman analysis of orpiment phase transition and in a study of superionic iron oxide–hydroxide in Earth's deep mantle. The recovered evidence supports fitting Raman modes and extracting their positions; conductivity measurements and theoretical or atomistic calculations supplied other parts of the investigations. These indexed-source cases illustrate earth-science use, while the incomplete accessible settings and affiliations remain explicit gaps. ([Orpiment study](https://pmc.ncbi.nlm.nih.gov/articles/PMC6427194/), [Deep-mantle iron oxide–hydroxide study](https://www.nature.com/articles/s41561-021-00696-2))

FTIR analysis of coking coal separates bands assigned to functional groups and compares their relative contributions with caking behavior. An eleven-coal study used this approach to examine aliphatic and hydrogen-bond regions. The software supports component measurement, while the connection to caking properties depends on the authors' experimental comparisons and chemical assignments. The indexed evidence identifies the task but does not recover every fitting setting, so the appendix leaves the precise model unspecified. ([Coking-coal functional-group study](https://www.sciencedirect.com/science/article/pii/S1872581316300196))

XPS extends the same principle to surface chemistry. Studies of oxidized biochar and micropatterned alkanethiol surfaces use fitted contributions in elemental binding-energy spectra to compare functional-group or bond-type areas. Slater and colleagues explicitly describe Gaussian deconvolution for surface characterization. Laser fabrication, microscopy and any biological experiments in that paper are separate steps. Fan and colleagues' biochar evidence is supported by indexed primary methods, with full-text retrieval limitations recorded. These cases suit a materials and environmental surface-analysis narrative without implying that a fitted component alone proves a unique chemical species. ([Micropatterned surfaces study](https://pmc.ncbi.nlm.nih.gov/articles/PMC5978433/), [Biochar oxidation study](https://pmc.ncbi.nlm.nih.gov/articles/PMC6317012/))

### Food research repeatedly measures protein secondary-structure fractions

Food and agricultural materials form a coherent group because many studies compare amide-I spectral components after a processing treatment. In a pea-protein high-moisture meat-analog study, OMNIC performs baseline correction, normalization and Fourier deconvolution, while PeakFit 4.12 supports quantification of beta-sheet, random-coil, alpha-helix and beta-turn contributions. Those percentages become descriptors for comparing processing conditions. Keeping the tool roles separate is essential: neither the instrument preprocessing nor every later texture or statistical analysis should be advertised as a PeakFit operation. ([Pea-protein meat-analog study](https://pmc.ncbi.nlm.nih.gov/articles/PMC10742468/))

Bread storage research uses PeakFit 4.12 to estimate relative secondary-structure contents from amide-I infrared bands while investigating hardness changes. Frozen oatmeal cooked noodles provide a different treatment comparison: second-derivative spectra and subregion peak areas support estimates of secondary-structure composition across freeze-thaw cycles. These papers show a repeated workflow in which a complex band is decomposed into interpretable contributions and the resulting proportions are compared with independent product properties. They do not establish that an amide-I fit alone predicts shelf life or sensory quality. ([Bread storage study](https://pmc.ncbi.nlm.nih.gov/articles/PMC11641183/), [Oatmeal noodle freeze-thaw study](https://pmc.ncbi.nlm.nih.gov/articles/PMC10887751/))

Milk fat globule membrane proteins, whey protein concentrate and micellar casein concentrate were compared using Gaussian curve fitting of amide-I subbands. The publication describes OMNIC and PeakFit in spectral processing, and its affiliations include medical, university and dairy-research organizations. These are publication-time collaborations, not evidence that each organization bought a license. The example supports dairy protein characterization as an application area, with relative secondary-structure composition as the measured output. ([Milk protein comparison](https://pmc.ncbi.nlm.nih.gov/articles/PMC12828347/))

The supplied primary cases also include quinoa protein hydrolysis, fish-collagen-peptide emulsions for keratin stabilization and chickpea flour films containing nanoclays. Quinoa analysis deconvolutes amide-I spectra after limited Alcalase hydrolysis. The collagen-emulsion work estimates relative secondary-structure composition in a hair-fiber context. Chickpea-film research records infrared processing and calculation of the first derivative of thermogravimetric curves. Together these examples support a domain story about measuring molecular and thermal changes in food-derived materials. They should retain their distinct endpoints rather than be compressed into an unsupported general claim that the software validates food, cosmetic or biomedical performance. ([Quinoa protein study](https://pmc.ncbi.nlm.nih.gov/articles/PMC9640309/), [Collagen-peptide emulsion study](https://pmc.ncbi.nlm.nih.gov/articles/PMC11991457/), [Chickpea flour film study](https://pmc.ncbi.nlm.nih.gov/articles/PMC10778780/))

## Thermal analysis and separations require careful component interpretation

The peak-shape problem changes across instrument types. Diffraction and many spectral bands are often described with symmetric or mixed line shapes, while chromatographic and thermal peaks can be strongly asymmetric. A scientifically useful knowledge base therefore records the actual family used when available: Gaussian, exponentially modified Gaussian, Lorentzian–Gaussian, Weibull, asymmetric logistic, or Haarhoff–Van der Linde. The family name indicates a mathematical description used in a reported analysis; it does not establish that every component is uniquely identifiable or represents a distinct physical entity.

### Pharmaceutical and biological thermal curves reveal different kinds of overlap

A 1992 pharmaceutical study used Gaussian and exponentially modified Gaussian components to analyze overlapping DSC endotherms for benzoic acid and ephedrine hydrochloride isomers and mixtures. Derived outputs included fusion enthalpies and a solid–liquid phase diagram. The authors reported minor-component examples down to 1.5 mol%, but that result belongs to their materials, instrument conditions and procedure. It cannot serve as a general detection-limit guarantee for other compounds. The historical example is useful because it connects component fitting to a chemically meaningful quantitative endpoint, rather than merely showing a visual fit. ([Pharmaceutical DSC study](https://www.sciencedirect.com/science/article/pii/037851739290199C))

Protein thermal stability offers a more recent application. In a resveratrol/alpha-lactalbumin study, PeakFit 4.12 decomposes DSC thermograms using a built-in Haarhoff–Van der Linde function within an assumed two-transition pathway. Overall enthalpy, temperature and entropy are estimated separately with NanoAnalyze. A domain description should state both the fitted model assumption and the separation of software roles. It should not imply that fitting alone proves the pathway or that all calorimetric outputs were generated by PeakFit. ([Alpha-lactalbumin thermal-stability study](https://pmc.ncbi.nlm.nih.gov/articles/PMC11504486/))

Bacterial microcalorimetry extends asymmetric peak fitting to biological heat-flow curves. A comparative study of Staphylococcus aureus and Escherichia coli used Haarhoff–Van der Linde chromatographic functions to decompose normalized thermograms and compare components under dilution and oxygen-diffusion perturbations. Component peaks and areas support a proposed interpretation of the processes contributing to heat output. The approach does not automatically identify a metabolic pathway or provide a clinical diagnostic result. The Romanian publication affiliations include the Carol Davila university and the Romanian Academy's physical chemistry institute, giving a documented historical research context. ([Bacterial microcalorimetry study](https://pmc.ncbi.nlm.nih.gov/articles/PMC3727997/))

Collagen-denaturation analysis in riboflavin/UVA model systems provides another biological DSC case. PeakFit 4.12 decomposes the endothermic peak in research related to keratoconus cross-linking. The study is an experimental model-system investigation; the software's role is thermal component analysis. It must not be portrayed as making a treatment decision or establishing clinical effectiveness independently of the experiment. ([Riboflavin/UVA model systems](https://pmc.ncbi.nlm.nih.gov/articles/PMC8746477/))

### Thermoluminescence links empirical peak shapes to physical parameters

Pagonis and Kitis evaluated commercial software for thermoluminescence glow-curve deconvolution. They used Weibull distributions for first-order behavior and asymmetric logistic distributions with variable symmetry for second/general-order behavior, relating distribution parameters to activation-energy estimates and fit measures. The scientific point is that an empirical peak shape can approximate a physical response under tested conditions. It should not be assumed that every fitted empirical component represents a separate trap without additional justification. ([Thermoluminescence deconvolution study](https://academic.oup.com/rpd/article-abstract/101/1-4/93/1597838))

The NaCl study entitled Applications of PeakFit software in thermoluminescence studies identifies version 4.12 and examines curves recorded at varying heating rates. Its reported endpoints include activation energy and frequency factor. Repository indexing recovered the header, abstract and methods excerpts, while the complete detailed procedure was not independently fetched. This is a useful radiation and thermal-analysis example, with a clear evidence qualification and no claim that the source's parameter estimates can be reproduced from the abbreviated excerpt alone. ([NaCl glow-curve study](https://nopr.niscpr.res.in/bitstream/123456789/11596/1/IJPAP%2049%285%29%20297-302.pdf))

### Chromatography demonstrates both measurement value and failure modes

The petroleum comparison by Moustafa and Mahmoud is especially valuable for balanced product documentation. Using PeakFit 4.12, the authors compared residual, deconvolution and second-derivative approaches on condensate-oil chromatogram segments. The residual procedure performed acceptably in the reported examples. A deconvolution procedure could generate false peaks under hypothetical shared-width assumptions, and second derivatives did not resolve the fused peaks examined. This does not discredit peak fitting in general; it shows why model assumptions and component review must accompany automation. A credible marketing account can emphasize controllable analysis and inspection without promising that every hidden peak is correctly discovered. ([Petroleum chromatogram comparison](https://www.eurekaselect.com/article/66982))

Industrial wastewater spectroscopy is another example of fitting embedded in a larger analytical pipeline. Gan and colleagues used Gaussian deconvolution of an FTIR-ATR region to isolate nitrate absorption within complex wastewater. The indexed primary text reports fit thresholds for those spectra. Partial least-squares regression and support-vector regression form separate subsequent chemometric steps. The recovered use therefore supports spectral separation as part of nitrate-analysis research, rather than a claim that legacy PeakFit itself implements every chemometric model in the study. ([Wastewater nitrate study](https://pmc.ncbi.nlm.nih.gov/articles/PMC9816775/))

## PeakLab has a smaller, distinct body of modern evidence

The relevant PeakLab is the AIST/Ronald E. Brown spectroscopy and chromatography product associated with R2N. Its current product and release pages describe modern peak models, instrument-response modeling and chemometric prediction. These statements are **vendor descriptions of capabilities**. Historical PeakFit papers do not independently validate present-day PeakLab features, and a historical laboratory using PeakFit cannot automatically be counted as a PeakLab user. Development relationships stated in release notes should likewise be distinguished from publication affiliations and adoption statistics. ([PeakLab product page](https://r2nsoftware.com/peaklab/), [Developer release notes](https://r2nsoftware.net/Release_Notes.htm))

### Peer-reviewed examples document concrete analytical roles

The PeakClimber comparison is a direct modern chromatography example. Its authors compared overlapping fatty-acid peak areas with generalized Haarhoff–Van der Linde fits from PeakLab and reported no statistical difference for their tested chromatograms. **The supported finding is equivalence in that particular comparison**, under the reported conditions and data. It is not broad proof of equal performance on every chromatogram, and it is not evidence of universal superiority for either tool. The authors' Johns Hopkins and Carnegie affiliations belong to the PeakClimber paper; they do not establish a Johns Hopkins development heritage for PeakLab. ([PeakClimber primary comparison](https://pmc.ncbi.nlm.nih.gov/articles/PMC12357772/))

A cellulose-fiber study provides an independent spectroscopy role. PeakLab version 1.05.07 deconvolutes photoacoustic spectra of chemically and mechanically treated fibers. IgorPro performs the separate discrete wavelet transformation. The publication affiliations span Hungary, Finland and Japan, documenting a multinational research context for the paper. The fitting role concerns separated spectral features; it should not be inflated into a claim that PeakLab performed every spectroscopy technique or the wavelet analysis reported in the article. ([Cellulose photoacoustic study](https://pmc.ncbi.nlm.nih.gov/articles/PMC11644499/))

Ion mobility-mass spectrometry supplies a different modern application. A study of direct enantiomer differentiation using noncovalent copper–amino acid complexation checked in-house resolving-power and two-peak-resolution calculations with AIST PeakLab peak fitting. Figure S7 provides the comparison context. The supported benefit is an independent fitting check on the authors' resolution calculations. PeakLab is not credited with acquiring the ion-mobility data, preparing complexes or independently determining the biological activity of the drugs examined. ([Enantiomer differentiation study](https://pmc.ncbi.nlm.nih.gov/articles/PMC11307251/))

An extra-column-effects paper in microflow LC-MS acknowledges that Ronald E. Brown of AIST Software supplied PeakLab and discussed numerical peak-shape characterization. The acknowledgement is retained because it is a genuine product-related source. Its evidence class is deliberately narrower than a methods case with explicit settings and outputs. The acknowledgement alone does not establish which model was run, how many chromatograms were fitted or which numerical results in the paper came from PeakLab. ([Microflow LC-MS acknowledgement](https://pmc.ncbi.nlm.nih.gov/articles/PMC12183583/))

### A separations methods article explains practical workflows

Next Generation Peak Fitting for Separations, by Wahab, Handlovic and Armstrong, is a trade methods article rather than an independent market-wide validation study. It describes PeakLab 1.05.02 workflows using linear or constrained cubic-spline baseline correction and peak detection based on local maxima, second derivatives or residual structure. Its examples include rapid nucleoside separation, partially resolved mixtures, nicotine E-liquid and overloaded preparative peaks. The outputs include peak areas, locations, shape moments and goodness-of-fit measures. ([LCGC methods article](https://www.chromatographyonline.com/view/next-generation-peak-fitting-for-separations))

This article is useful for explaining why a chromatographer might choose a more detailed fit when direct integration is difficult. It shows an analyst handling baseline and overlap explicitly and selecting models suited to observed shapes. However, the article's demonstrations are not a survey of widespread adoption, and its results do not establish uniform accuracy across every detector, sample matrix or loading condition. A research-use webpage should present it as a worked analytical demonstration and allow readers to open the source.

The published uses and vendor descriptions together suggest distinct messaging. PeakFit's historical evidence supports a broad account of component analysis in established experimental workflows. PeakLab's recovered evidence supports a smaller set of specific modern applications with detailed chromatographic and spectroscopic context. A combined page can explain this relationship while letting users filter the products separately. It should not pool both names into a single verified-use count, use PeakFit's legacy literature as automatic proof of PeakLab adoption, or assign modern functionality to an old paper that did not describe it.

## Geographic and organization evidence needs source-level boundaries

The reviewed cases document research affiliations across several regions. Examples include United States universities and national laboratories in cotton, cellulose and diffraction studies; Romanian university and academy teams in biological calorimetry; Chinese university and academy teams in food, coal and high-pressure research; Korean food-science research; and collaborations involving Poland and Uruguay, Austria and Japan, China and Australia, or Hungary, Finland and Japan. Each affiliation is anchored to a particular publication. The case appendix records exactly which countries were recovered and flags incomplete lists rather than presenting these examples as a complete world map of adoption.

These affiliations show that related analytical workflows cross institutional and disciplinary boundaries. A national laboratory using diffraction decomposition, a food department quantifying amide-I fractions and a chemistry group measuring chromatographic overlap can share a need for component fitting while pursuing very different scientific questions. This is a stronger foundation for domain-based communication than a list of institution logos without context. A useful organization entry should identify the publication, the measured signal, the fitting output and the evidence level. It should let the reader see whether the source describes methods or only an acknowledgement.

No affiliation in this report is presented as an endorsement, a current subscription, a purchasing relationship or permission to use an organization's logo. Publication-time author employment can change. A laboratory address in a paper does not prove that the institution owns the license used for the analysis. Some metadata records also include collaborations across countries, while selected case extraction is incomplete for others. The knowledge base consequently keeps raw organization evidence and normalized bibliographic identifiers separate, and does not convert departments or spelling variants into a precise worldwide institution count.

The most important false-positive controls concern software names. Storm Peak Lab and Storm Peak Laboratory are atmospheric research facilities, not the commercial PeakLab spectroscopy program. Friolera Peak Lab is another unrelated name match in the supplied collection. Tom O'Haver's MATLAB peakfit function, an R proteomics Peakfit tool integrated with Skyline, and a Python PeakFit package for pseudo-ND NMR line-shape fitting are separate programs. A paper that uses one of them is evidence for that program, not for commercial PeakFit. References to Jandel, SPSS, AISN, SeaSolve or Systat can help establish the commercial identity when they are explicit. ([MATLAB function documentation](https://cbass.physics.ox.ac.uk/matlab_function_structure_doc/matutils/peakfit.html), [R proteomics tool](https://pubmed.ncbi.nlm.nih.gov/34260257/), [Python NMR package](https://github.com/gbouvignies/PeakFit), [Storm Peak Laboratory paper](https://journals.ametsoc.org/view/journals/bams/78/10/1520-0477_1997_078_2115_splart_2_0_co_2.xml))

## Research evidence can support useful product communication

The safest central claim is concrete: **published researchers have used PeakFit and PeakLab to analyze overlapping experimental signals and quantify fitted component properties in the documented cases**. The scope can then be expanded through source-linked examples in spectroscopy, materials, food proteins, thermal analysis, chromatography and earth science. An example should say what was measured and why that measurement mattered. This communicates the practical value of the software while keeping a study's scientific conclusion attached to its authors and their full experimental methods.

An industry-focused knowledge page can organize the evidence around analytical problems instead of treating every citation as a testimonial. A materials section can explain crystalline/amorphous area decomposition and Raman positions. A food section can explain relative amide-I contributions. A pharmaceutical section can explain overlapping thermal transitions and ion-mobility resolution checks. A chromatography section can explain baseline choice, asymmetric shapes and overlap. An environment and energy section can explain wastewater spectra, coal functional groups and mineral characterization. The visible product and evidence filters should preserve which program and source type support each example.

Numerical claims need equally narrow wording. The cotton precision range, the chiral-mixture minor-component example and the PeakClimber area comparison are valid facts when attached to their sources and conditions. None is a general software accuracy specification. Likewise, candidate counts should be introduced as the size of the supplied discovery collection. A map or country table should say whether it reflects bibliographic affiliations across candidates or explicit affiliations in reviewed cases. Unknown geography remains a visible coverage gap rather than a reason to infer missing countries.

The evidence also gives a practical modernization direction. Reproducible exports of baseline choices, component families, initial conditions, constraints, parameter estimates, residuals and fit statistics would make the analyses easier to inspect and share. This is an inference from the recurring research workflows, not a claim that every current release already implements each proposed feature. An AI assistant could help propose candidate models and explain assumptions, but the historical papers reviewed here do not validate an AI-assisted model-selection system or demonstrate that AI reduces bias. Any such benefit would require its own defined evaluation.

The knowledge base is designed to be maintained as evidence improves. New discoveries should first enter as candidates with provenance. Product identity and analysis role should then be checked against a primary source. Missing fields can be filled only when supported, and changes should preserve the earlier source state rather than overwrite uncertainty silently. The report and webpage can be regenerated from the same case and statistics files, allowing the public-facing story to stay consistent with the research package. This approach makes a growing citation collection useful without turning its incompleteness into unsupported marketing claims.


## Collection and evidence statistics

These numbers describe this supplied snapshot and its enrichment. Candidate geography is bibliographic metadata, not confirmed software-use geography. Case geography comes from the reviewed publication affiliations; neither represents a customer list.

| Measure | Value |
|---|---:|
| Supplied saved-search pages | 50 |
| Supplied result rows | 500 |
| Unique publication candidates | 497 |
| Candidates remaining after explicit exclusions | 468 |
| Reviewed contextual case entries | 34 |
| Distinct publications represented by contextual cases | 34 |
| Contextual cases linked to supplied candidates | 9 |
| Candidate metadata country/territory codes | 58 |
| Eligible candidates without country metadata | 119 |
| Eligible candidates without organization metadata | 119 |
| Crossref metadata matches | 345 |
| OpenAlex metadata matches | 365 |

### Saved-query buckets

| Category | Entries |
|---|---:|
| PeakFit | 300 |
| PeakLab | 197 |

### Candidate identity status

| Category | Entries |
|---|---:|
| unresolved search candidate | 358 |
| commercial product supported | 9 |
| saved snippet commercial identity hint | 100 |
| other software or ambiguous matlab | 1 |
| excluded other entity | 7 |
| excluded named research facility | 22 |

### Contextual case products

| Category | Entries |
|---|---:|
| PeakFit | 29 |
| PeakLab | 5 |

### Contextual evidence levels

| Category | Entries |
|---|---:|
| primary fulltext use | 15 |
| primary fulltext acknowledgment only | 1 |
| primary trade methods article | 1 |
| primary abstract | 3 |
| primary indexed excerpt | 10 |
| fulltext methods | 4 |

### Candidate affiliation geography

These counts overlap where one publication has multiple affiliations or classifications. Subject categories support discovery and do not establish verified product use.

| Category | Candidate associations |
|---|---:|
| CN | 128 |
| US | 98 |
| AU | 35 |
| FR | 18 |
| CA | 15 |
| DE | 14 |
| IN | 12 |
| GB | 9 |
| IT | 7 |
| ES | 7 |
| AR | 5 |
| HU | 5 |
| TW | 4 |
| SG | 4 |
| BR | 4 |
| RU | 4 |
| EG | 3 |
| JP | 3 |
| KR | 3 |
| PL | 3 |

### Candidate subject classifications

These counts overlap where one publication has multiple affiliations or classifications. Subject categories support discovery and do not establish verified product use.

| Category | Candidate associations |
|---|---:|
| Spectroscopy and analytical chemistry | 136 |
| Unclassified | 130 |
| Materials and polymers | 95 |
| Mathematics and instrumentation | 79 |
| Food and agriculture | 70 |
| Environment and earth science | 64 |
| Thermal analysis and radiation | 54 |
| Biomedicine and pharmaceutical science | 54 |
| Energy and petroleum | 42 |

### Candidate organization metadata

These counts overlap where one publication has multiple affiliations or classifications. Subject categories support discovery and do not establish verified product use.

| Category | Candidate associations |
|---|---:|
| Queensland University of Technology | 27 |
| China University of Mining and Technology | 15 |
| The University of Texas at Arlington | 14 |
| Centre National de la Recherche Scientifique | 14 |
| Chinese Academy of Sciences | 8 |
| South China University of Technology | 8 |
| Fujian Agriculture and Forestry University | 7 |
| University of Colorado Boulder | 7 |
| Shandong University of Science and Technology | 6 |
| Cooperative Institute for Research in Environmental Sciences | 6 |
| Research Center for Eco-Environmental Sciences | 5 |
| China University of Mining and Technology - Beijing | 5 |
| Unité Matériaux et Transformations | 5 |
| Zhengzhou University of Light Industry | 5 |
| Guangdong Province Key Laboratory for Green Processing of Natural Products and Product Safety | 5 |
| Inner Mongolia University of Science and Technology | 5 |
| Consejo Nacional de Investigaciones Científicas y Técnicas | 5 |
| University of Utah | 5 |
| Taiyuan University of Technology | 4 |
| Jiangnan University | 4 |

## Appendix: source-linked contextual case records

Each entry describes the recovered evidence, including its limitations. Indexed excerpts are retained with their own evidence level; acknowledgements and trade demonstrations remain distinct from full-text research methods. Supplemental discoveries do not increase the 497 supplied publication candidates. Version text is preserved when available.

### 1. Model Systems for Evidencing the Mediator Role of Riboflavin in the UVA Cross-Linking Treatment of Keratoconus

**PeakFit · 2021 · primary fulltext use**

Decomposes the DSC endothermic collagen-denaturation peak in model systems studying riboflavin/UVA cross-linking for keratoconus. The recorded outputs are Decomposed thermal components; model-specific denaturation information.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC8746477/)

**Authors:** Constantin Mihaela Monica; Corbu Cătălina Gabriela; Mocanu Sorin; Popescu Elena Irina; Micutz Marin; Staicu Teodora; Şomoghi Raluca; Trică Bogdan; Popa Vlad Tudor; Precupas Aurica; Matei Iulia; Ionita Gabriela. **Version:** 4.12. **Evidence location:** 3.3.3. MicroDSC.

**Publication affiliations:** Chemistry Department, Faculty of Petroleum Technology and Petrochemistry, Petroleum-Gas University of Ploiesti, Bd. Bucuresti 39, 100680 Ploiesti, Romania; Clinical Hospital of Ophthalmologic Emergencies, Alexandru Lahovari 1 Square, 010464 Bucharest, Romania; Department of Bioresources, National Institute for Research & Development in Chemistry and Petrochemistry—ICECHIM, Splaiul Independentei nr. 202, Sector 6, 060021 Bucharest, Romania; Department of Physical Chemistry, Faculty of Chemistry, University of Bucharest, Bd. Regina Elisabeta 4-12, 030018 Bucharest, Romania; Oftaclinic Clinic, Bd. Marasesti 2B, 040254 Bucharest, Romania; “Ilie Murgulescu” Institute of Physical Chemistry of the Romanian Academy, Splaiul Independentei 202, 060021 Bucharest, Romania. **Recovered affiliation countries:** Romania. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental discovery. DOI: 10.3390/molecules27010190.

### 2. Composite Fish Collagen Peptide-Based Biopolymer Emulsion for Keratin Structure Stabilization and Hair Fiber Repair

**PeakFit · 2025 · primary fulltext use**

Calculates relative secondary-structure percentages from processed infrared spectra in fish-collagen-peptide emulsions intended for hair keratin stabilization. The recorded outputs are Relative protein secondary-structure composition.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC11991457/)

**Authors:** Gu Wenwei; Gu Lei; Tao Ningping; Wang Xichang; Xu Changhua. **Version:** 4.12. **Evidence location:** 2.3.1. Infrared Spectral Acquisition; 2.5. Statistical Analysis.

**Publication affiliations:** College of Food Science & Technology, Shanghai Ocean University, Shanghai 201306, China; Laboratory of Quality and Safety Risk Assessment for Aquatic Products on Storage and Preservation , Ministry of Agriculture, Shanghai 201306, China; National R&D Branch Center for Freshwater Aquatic Products Processing Technology, Shanghai 201306, China; Shanghai Engineering Research Center of Aquatic-Product Processing & Preservation, Shanghai 201306, China. **Recovered affiliation countries:** China. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental discovery. DOI: 10.3390/polym17070907.

### 3. Effects of Process Variables on the Physicochemical, Textural, and Structural Properties of an Isolated Pea Protein-Based High-Moisture Meat Analog

**PeakFit · 2023 · primary fulltext use**

Quantifies amide-I subpeak percentages in isolated pea protein high-moisture meat analogs after OMNIC baseline correction, normalization and Fourier deconvolution. The recorded outputs are Beta-sheet, random-coil, alpha-helix and beta-turn proportions.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC10742468/)

**Authors:** Zhang Y; Ryu GH. **Version:** 4.12. **Evidence location:** 2.8. Fourier Transform Infrared Spectroscopy (FT-IR).

**Publication affiliations:** Department of Food Science and Technology, Food and Feed Extrusion Research Center, Kongju National University, Yesan 32439, Chungnam, Republic of Korea. **Recovered affiliation countries:** Republic of Korea. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental discovery. DOI: 10.3390/foods12244413.

### 4. Impact of Nanoclays Addition on Chickpea ( Cicer arietinum L.) Flour Film Properties

**PeakFit · 2023 · primary fulltext use**

Processes FTIR spectra and calculates the first derivative of thermogravimetric curves in nanoclay-containing chickpea flour films. The recorded outputs are Infrared data treatment and DTG curve.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC10778780/)

**Authors:** Cobos Á; Díaz O. **Version:** 4.12. **Evidence location:** 2.9. Fourier Transform Infrared Spectroscopy (FTIR); 2.10. Thermogravimetric Analysis (TGA).

**Publication affiliations:** Área de Tecnología de Alimentos, Departamento de Química Analítica, Nutrición y Bromatología, Facultad de Ciencias, Universidade de Santiago de Compostela, 27002 Lugo, Spain. **Recovered affiliation countries:** Spain. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental discovery. DOI: 10.3390/foods13010075.

### 5. Formation, Structural Characterization, and Functional Properties of Corn Starch/Zeaxanthin Composites

**PeakFit · 2023 · primary fulltext use**

Separates crystalline diffraction peak area from amorphous area in corn-starch/zeaxanthin composites for relative crystallinity calculation. The recorded outputs are Crystalline area divided by total diffraction area.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC10216910/)

**Authors:** Li Songnan; Feng Duo; Li Enpeng; Gilbert Robert G.. **Version:** 4.0. **Evidence location:** 2.4.3. X-ray Diffraction.

**Publication affiliations:** Centre for Nutrition and Food Sciences, Queensland Alliance for Agriculture and Food Innovation, The University of Queensland, Brisbane, QLD 4072, Australia; Jiangsu Co-Innovation Center for Modern Production Technology of Grain Crops, Yangzhou University, Yangzhou 225009, China; Joint International Research Laboratory of Agriculture and Agri-Product Safety of the Ministry of Education of China, Institutes of Agricultural Science and Technology Development, Yangzhou University, Yangzhou 225009, China; Laboratory of Crop Genomics and Molecular Breeding/Key Laboratory of Plant Functional Genomics of the Ministry of Education/Jiangsu Key Laboratory of Crop Genetics and Physiology, Agricultural College of Yangzhou University, Yangzhou 225009, China. **Recovered affiliation countries:** China; Australia. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental discovery. DOI: 10.3390/foods12102076.

### 6. The Mechanism Underlying the Increase in Bread Hardness in Association with Alterations in Protein and Starch Characteristics During Room-Temperature Storage

**PeakFit · 2024 · primary fulltext use**

Obtains protein secondary-structure contents from amide-I infrared bands in bread during room-temperature storage. The recorded outputs are Relative alpha-helix, beta-sheet, beta-turn and random-coil components.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC11641183/)

**Authors:** Wang H; Liu W; Zhang P; Lian X. **Version:** 4.12. **Evidence location:** 2.6. FTIR Spectroscopy.

**Publication affiliations:** Institute of Collaborative Innovation in Great Health, College of Biotechnology and Food Science, Tianjin University of Commerce, Tianjin 300134, China; Tianjin Key Laboratory of Refrigeration Technology, Tianjin University of Commerce, Tianjin 300134, China. **Recovered affiliation countries:** China. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental discovery. DOI: 10.3390/foods13233921.

### 7. Characterization and Comparison of Milk Fat Globule Membrane Proteins, Whey Protein Concentrate, and Micellar Casein Concentrate

**PeakFit · 2026 · primary fulltext use**

Combines OMNIC and PeakFit spectral deconvolution/baseline correction; Gaussian curve fitting quantifies amide-I secondary-structure subbands for milk protein materials. The recorded outputs are Relative secondary-structure composition.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC12828347/)

**Authors:** Wang J; Ji X; Bian Z; Liu Y; Chen W; Fan C; Li J. **Version:** 4.12. **Evidence location:** Fourier Transform Infrared Spectroscopy (FTIR).

**Publication affiliations:** Department of Nutrition, Shanghai Changzheng Hospital, Naval Medical University, Shanghai, China; School of Public Health/Key Laboratory of Public Health Safety of Ministry of Education, Fudan University, Shanghai, China; State Key Laboratory of Bioreactor Engineering, East China University of Science and Technology, Shanghai, China; State Key Laboratory of Dairy Biotechnology, Dairy Research Institute, Bright Dairy and Food Co., Ltd. Shanghai, China. **Recovered affiliation countries:** China. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental discovery. DOI: 10.1002/fsn3.71468.

### 8. Study on the Quality Variation and Internal Mechanisms of Frozen Oatmeal Cooked Noodles during Freeze–Thaw Cycles

**PeakFit · 2024 · primary fulltext use**

Fits second-derivative amide-I spectra and uses subregion peak areas to estimate secondary-structure composition in cooked oatmeal noodles undergoing freeze-thaw cycles. The recorded outputs are Relative structure proportions versus freeze-thaw treatment.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC10887751/)

**Authors:** Chang X; Liu H; Zhuang K; Chen L; Zhang Q; Chen X; Ding W. **Version:** 4.12. **Evidence location:** 2.5. Fourier-Transform Infrared Spectroscopy (FTIR); 3.3. Effect of FTC on the Secondary Structure of Protein in FOCN.

**Publication affiliations:** Key Laboratory for Deep Processing of Major Grain and Oil, Ministry of Education, Hubei Key Laboratory for Processing and Transformation of Agricultural Products, Wuhan Polytechnic University, Wuhan 430023, China; School of Food Science and Engineering, Wuhan Polytechnic University, Wuhan 430023, China. **Recovered affiliation countries:** China. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental discovery. DOI: 10.3390/foods13040541.

### 9. Research on the Pollutant Migration Law Based on Large-Scale Three-Dimensional Similar Simulation Experiments of Underground Coal Gasification

**PeakFit · 2022 · primary fulltext use**

Fits infrared spectra of coal-gasification simulation samples to examine functional-group composition and relative abundance at surrounding-rock sampling locations. The recorded outputs are Component functional-group profiles used to study pollutant migration.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC9097200/)

**Authors:** Xin Lin; Li Kaixuan; Feng Mingze; Cheng Weimin; Wang Zhigang; Li Jiaze; Wu Jing. **Version:** not reported in retrieved mention. **Evidence location:** FTIR Data Processing; Sampling and Analysis of Simulated Coal Seam Surrounding Rock.

**Publication affiliations:** § North China Geological Exploration Bureau of Tianjin , Tianjin 300170, China; † College of Safety and Environmental Engineering, Shandong University of Science and Technology , Qingdao, Shandong 266590, China; ‡ Key Laboratory of Ministry of Education for Mine Disaster Prevention and Control, Shandong University of Science and Technology , Qingdao, Shandong 266590, China. **Recovered affiliation countries:** China. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplemental discovery. DOI: 10.1021/acsomega.2c01135.

### 10. Resveratrol Effect on α-Lactalbumin Thermal Stability

**PeakFit · 2024 · primary fulltext use**

Decomposes alpha-lactalbumin DSC thermograms with a built-in Haarhoff–Van der Linde function under an assumed two-transition pathway; compares untreated protein with resveratrol mixtures. The recorded outputs are Fitted component thermal peaks; overall denaturation enthalpy, temperature and entropy estimated separately by NanoAnalyze instrument software.. The recovered peak model or component description is Haarhoff–Van der Linde; assumes two transitions. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC11504486/)

**Authors:** Precupas A; Gheorghe D; Leonties AR; Popa VT. **Version:** 4.12. **Evidence location:** 2.2.1. Differential Scanning Calorimetry (DSC); 3.1. Thermal Stability of Protein in the Absence and Presence of RESV; Supplementary Materials.

**Publication affiliations:** “Ilie Murgulescu” Institute of Physical Chemistry, Romanian Academy, Splaiul Independentei 202, 060021 Bucharest, Romania. **Recovered affiliation countries:** Romania. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Do not assign instrument-derived thermodynamic values solely to PeakFit; two-transition interpretation is a model assumption. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental discovery. DOI: 10.3390/biomedicines12102176.

### 11. Comparative analysis of Staphylococcus aureus and Escherichia coli microcalorimetric growth

**PeakFit · 2013 · primary fulltext use**

Decomposes normalized bacterial heat-flow thermograms for E. coli and S. aureus using Haarhoff-van der Linde chromatographic functions; compares components under dilution and oxygen-diffusion perturbations. The recorded outputs are Component thermal peaks and areas; proposed process interpretation is not automatic chemical identification.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC3727997/)

**Authors:** Zaharia DC; Muntean AA; Popa MG; Steriade AT; Balint O; Micut R; Iftene C; Tofolean I; Popa VT; Baicus C; Bogdan MA; Popa MI. **Version:** 4.12. **Evidence location:** Results; Conclusion; Data analysis on raw (non-normalized) thermograms; Peakfit decomposition of the thermograms; Variations of total and peak thermal effects; Conclusions; Microcalorimetry; Peakfit processing of the thermograms.

**Publication affiliations:** Romanian Academy, Institute of Physical Chemistry, “Ilie Murgulescu”, Splaiul Independentei 202, 060021, Bucharest, Romania; University of Medicine and Pharmacy, “Carol Davila”, Eroii Sanitari Bulevard 8, Bucharest, Romania. **Recovered affiliation countries:** Romania. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental discovery. DOI: 10.1186/1471-2180-13-171.

### 12. Limited Alcalase hydrolysis improves the thermally-induced gelation of quinoa protein isolate (QPI) dispersions

**PeakFit · 2022 · primary fulltext use**

Deconvolutes quinoa protein amide-I infrared spectra to estimate secondary-structure percentages after limited Alcalase hydrolysis. The recorded outputs are Relative protein secondary-structure composition.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC9640309/)

**Authors:** Wang X; Cheng L; Wang H; Yang Z. **Version:** not reported in retrieved mention. **Evidence location:** Fourier transform infrared spectroscopy (FTIR).

**Publication affiliations:** a School of Food and Advanced Technology, Massey University, Auckland, 0632, New Zealand; b The Riddet Institute, Massey University, Palmerston North, 0745, New Zealand; c Collaborative Innovation Centre of Seafood Deep Processing, Zhejiang Province Joint Key Laboratory of Aquatic Products Processing, Institute of Seafood, Zhejiang Gongshang University, Hangzhou, 310018, China. **Recovered affiliation countries:** China; New Zealand. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplemental discovery. DOI: 10.1016/j.crfs.2022.10.027.

### 13. PeakClimber: A software tool for the accurate quantification of complex HPLC chromatograms

**PeakLab · 2025 · primary fulltext use**

PeakClimber authors compare overlapping fatty-acid peak areas with PeakLab generalized Haarhoff-van der Linde fits and report no statistical difference for their tested chromatograms. The recorded outputs are Benchmark component areas; the study does not establish broad superiority of either tool.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC12357772/)

**Authors:** Derrick JT; Deme P; Haughey NJ; Farber SA; Ludington WB. **Version:** not reported in retrieved mention. **Evidence location:** Comparison of PeakClimber to other common HPLC quantification algorithms; Discussion.

**Publication affiliations:** a Department of Biology, Johns Hopkins University, Baltimore, MD, United States; b Department of Embryology, Carnegie Institute for Science, Baltimore, MD, United States; c Department of Neurology, JHMI, Baltimore, MD, United States. **Recovered affiliation countries:** United States. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplied Scholar corpus. Supplied candidate ID: PFP0309. DOI: 10.1016/j.jchromb.2025.124721.

### 14. Implications of Extra-column Effects for Targeted or Untargeted Microflow LC-MS

**PeakLab · 2025 · primary fulltext acknowledgment only**

The authors acknowledge Ronald E. Brown of AIST Software for providing PeakLab and discussing numerical peak-shape characterization. The recorded outputs are Not independently specified in the retrieved acknowledgement.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC12183583/)

**Authors:** Handlovic Troy T.; Dhaubhadel Umang; Horáček Ondřej; Novák Martin; Nováková Lucie; Armstrong Daniel W.. **Version:** not reported in retrieved mention. **Evidence location:** Acknowledgements.

**Publication affiliations:** § Biomedical Research Centre , University Hospital Hradec Králové , Sokolská 581 , Hradec Králové 50005 , Czech Republic; † Department of Chemistry and Biochemistry , 12329 University of Texas at Arlington , Arlington , Texas 76019 , United States; ‡ Department of Pharmaceutical Chemistry and Pharmaceutical Analysis, Faculty of Pharmacy in Hradec Králové , Charles University , Hradec Králové 50003 , Czech Republic; ∥ Department of Analytical Chemistry, Faculty of Pharmacy in Hradec Králové , Charles University , Hradec Králové 50003 , Czech Republic. **Recovered affiliation countries:** United States; Czech Republic. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Confirmed software-provision acknowledgement; not a fully specified or independently recovered PeakLab analysis workflow. Product identity confidence: explicit_AIST_PeakLab_acknowledgment. Corpus relation: supplied Scholar corpus. Supplied candidate ID: PFP0328. DOI: 10.1021/acsmeasuresciau.5c00015.

### 15. Exploring the Molecular Structure and Treatment Dynamics of Cellulose Fibres with Photoacoustic and Reversed Double-Beam Spectroscopy

**PeakLab · 2024 · primary fulltext use**

Deconvolutes photoacoustic spectra of chemically/mechanically treated cellulose fibres; discrete wavelet transformation is separately assigned to IgorPro. The recorded outputs are Decomposed Voigt-type peak areas versus chemical or mechanical treatment; wavelet transforms are separately performed with IgorPro.. The recovered peak model or component description is Voigt-type decomposed peaks (Results 3.1). [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC11644499/)

**Authors:** Csóka Levente; Csoka Worakan; Tirronen Ella; Nikolskaya Ekaterina; Hiltunen Yrjö; Ohtani Bunsho. **Version:** 1.05.07. **Evidence location:** Full-text paragraph including acknowledgement where applicable.

**Publication affiliations:** Faculty of Informatics, ELTE Eötvös Loránd University, 1053 Budapest, Hungary; Fiber Laboratory, South-Eastern Finland University of Applied Sciences, 57200 Savonlinna, Finland; Nonprofitable Organization Touche NPO, 1-6-414, North 4, West 14, Sapporo 060-0004, Japan. **Recovered affiliation countries:** Finland; Hungary; Japan. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: methods_context_commercial_product. Corpus relation: supplied Scholar corpus. Supplied candidate ID: PFP0312. DOI: 10.3390/polym16233419.

### 16. Direct Enantiomer Differentiation of Drugs and Drug-Like Compounds via Noncovalent Copper–Amino Acid Complexation and Ion Mobility-Mass Spectrometry

**PeakLab · 2024 · primary fulltext use**

Validates in-house resolving-power and two-peak-resolution calculations by AIST PeakLab peak fitting of ion-mobility spectra. The recorded outputs are Consistent resolution calculations, documented in Figure S7.. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC11307251/)

**Authors:** Blakley Benjamin K.; Zlibut Emanuel; Gupta Rashi M.; May Jody C.; McLean John A.. **Version:** not reported in retrieved mention. **Evidence location:** Full-text paragraph including acknowledgement where applicable.

**Publication affiliations:** Department of Chemistry, Center for Innovative Technology, Vanderbilt Institute of Chemical Biology, Vanderbilt-Ingram Cancer Center, and Vanderbilt Institute for Integrated Biosystems Research and Education, Vanderbilt University , Nashville, Tennessee 37235-1822, United States. **Recovered affiliation countries:** United States. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publication-time research use. Instrument preprocessing and separate statistical software are not assigned to this product. Version is left unspecified when not explicit. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplied Scholar corpus. Supplied candidate ID: PFP0308. DOI: 10.1021/acs.analchem.4c02710.

### 17. Next Generation Peak Fitting for Separations

**PeakLab · 2024 · primary trade methods article**

Analyzes chromatograms with linear/constrained cubic-spline baseline correction and local maxima, second-derivative or residual hidden-peak detection. Four examples include rapid nucleosides, partially resolved mixtures, nicotine E-liquid and overloaded preparative peaks. The recorded outputs are Peak areas, locations, shape moments and goodness-of-fit metrics.. [Primary source 1](https://www.chromatographyonline.com/view/next-generation-peak-fitting-for-separations)

**Authors:** M. Farooq Wahab; Troy T. Handlovic; Daniel W. Armstrong. **Version:** 1.05.02. **Evidence location:** Experimental: Software.

**Publication affiliations:** Not recovered. **Recovered affiliation countries:** Not recovered. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** A methods demonstration, not independent market-wide comparative validation. Product identity confidence: methods_context_commercial_product. Corpus relation: supplied Scholar corpus. Supplied candidate ID: PFP0301. DOI: 10.56530/lcgc.int.nh4468p9.

### 18. Peak-fitting analysis of cotton fiber powder X-ray diffraction spectra

**PeakFit · 2004 · primary abstract**

Fit diffuse cotton-fiber powder diffraction spectra using residual peak fitting. The recorded outputs are Peak positions; reported independent-fit precision 0.002–0.014 degrees 2theta. The recovered peak model or component description is Gaussian. [Primary source 1](https://onlinelibrary.wiley.com/doi/abs/10.1002/app.20666)

**Authors:** Runying Chen; Kathryn A. Jakes; Dennis W. Foreman. **Version:** Not recovered. **Evidence location:** Abstract.

**Publication affiliations:** East Carolina University; Ohio State University. **Recovered affiliation countries:** United States. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publisher abstract explicitly identifies PeakFit and method; full methods were not accessed. Fitted components do not independently prove a unique crystal structure. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplied Scholar corpus. Supplied candidate ID: PFP0005. DOI: 10.1002/app.20666.

### 19. Comparative Evaluation of Hypothetical Peak-Width Based Deconvolution Procedures for Detailed Petroleum Hydrocarbons Analysis

**PeakFit · 2015 · primary abstract**

Compare AutoFit Residual, Deconvolution and Second Derivative procedures on condensate-oil chromatogram segments. The recorded outputs are Recovered component peaks and agreement with chromatographic interpretation. The recovered peak model or component description is Not stated in accessible abstract. [Primary source 1](https://www.eurekaselect.com/article/66982)

**Authors:** Nagy E. Moustafa; Kout El Kloub Fars Mahmoud. **Version:** 4.12. **Evidence location:** Abstract.

**Publication affiliations:** Not recovered. **Recovered affiliation countries:** Not recovered. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Residual procedure performed acceptably in these examples; deconvolution generated false peaks under hypothetical common-width assumptions and second derivatives did not resolve fused peaks. Results are conditional, not universal accuracy claims. Product identity confidence: methods_context_commercial_product. Corpus relation: supplied Scholar corpus. Supplied candidate ID: PFP0008. DOI: 10.2174/2213240602666150430223338.

### 20. On the Possibility of using Commercial Software Packages for Thermoluminescence Glow Curve Deconvolution Analysis

**PeakFit · 2002 · primary indexed excerpt**

Deconvolve complex quartz and dosimetric-material glow curves with empirical distributions. The recorded outputs are Activation energy estimates from distribution parameters; figure of merit. The recovered peak model or component description is Weibull for first order; asymmetric logistic with variable symmetry for second/general order. [Primary source 1](https://academic.oup.com/rpd/article-abstract/101/1-4/93/1597838), [Primary source 2](https://pubmed.ncbi.nlm.nih.gov/12382713/)

**Authors:** V. Pagonis; G. Kitis. **Version:** Not recovered. **Evidence location:** Abstract.

**Publication affiliations:** Western Maryland College, Department of Physics. **Recovered affiliation countries:** United States. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Primary indexed abstract verified; full publisher methods unavailable. Distribution approximations are evaluated against TL kinetics; do not assume every fitted empirical peak is a physical trap. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplied Scholar corpus. Supplied candidate ID: PFP0006. DOI: 10.1093/oxfordjournals.rpd.a006067.

### 21. Applications of PeakFit software in thermoluminescence studies

**PeakFit · 2011 · primary indexed excerpt**

Analyze NaCl glow curves recorded at varying heating rates and extract intrinsic trapping parameters. The recorded outputs are Activation energy E; frequency factor s; glow-peak features. The recovered peak model or component description is Not established from accessible excerpt. [Primary source 1](https://nopr.niscpr.res.in/bitstream/123456789/11596/1/IJPAP%2049%285%29%20297-302.pdf)

**Authors:** Th Basanta Singh; L. Rey; R. K. Gartia. **Version:** 4.12. **Evidence location:** Repository PDF header and abstract; indexed methods excerpts.

**Publication affiliations:** Aerial-CRT, Illkirch; Manipur University, Luminescence Dating Laboratory and Physics Department; Rey address in Lausanne. **Recovered affiliation countries:** India; France; Switzerland. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Repository PDF indexing exposed header and abstract, but direct PDF fetch failed; neither complete detailed methods nor formula transcription was verified. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental primary-source discovery.

### 22. Solid-state properties of drugs. II. Peak shape analysis and deconvolution of overlapping endotherms in differential scanning calorimetry of chiral mixtures

**PeakFit · 1992 · primary indexed excerpt**

Fit heat flux against temperature for benzoic acid and ephedrine hydrochloride isomers and mixtures. The recorded outputs are Fusion enthalpies; solid–liquid phase diagram; minor-component detection in examples down to 1.5 mol%. The recovered peak model or component description is Gaussian; exponentially modified Gaussian. [Primary source 1](https://www.sciencedirect.com/science/article/pii/037851739290199C)

**Authors:** M. Elsabee; R. J. Prankerd. **Version:** Not recovered. **Evidence location:** Publisher indexed abstract.

**Publication affiliations:** Not recovered. **Recovered affiliation countries:** Not recovered. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Commercial PeakFit is explicit. Detection limit belongs to the reported examples; it is not a general validated limit for other drugs or mixtures. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplemental primary-source discovery. DOI: 10.1016/0378-5173(92)90199-C.

### 23. Structural analysis of functional group and mechanism investigation of caking property of coking coal

**PeakFit · 2016 · primary indexed excerpt**

Separate FTIR bands in 11 coking coals to quantify functional groups and compare with caking index. The recorded outputs are Relative functional-group contributions; aliphatic and hydrogen-bond spectral regions. The recovered peak model or component description is Not recovered. [Primary source 1](https://www.sciencedirect.com/science/article/pii/S1872581316300196), [Primary source 2](https://www.sciengine.com/doi/pdf/EB0BAF248302465FB54F27422EB51498)

**Authors:** Li Xiang; Qin Zhi-hong; Bu Liang-hui; Yang Zhuang; Shen Chen-yang. **Version:** Not recovered. **Evidence location:** Abstract and primary Chinese publication PDF indexed header/methods.

**Publication affiliations:** China University of Mining and Technology, School of Chemical Engineering and Technology. **Recovered affiliation countries:** China. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Publisher fetch blocked; source excerpts support use but not exact settings. Correlation with caking behavior does not alone establish causality. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplied Scholar corpus. Supplied candidate ID: PFP0017. DOI: 10.1016/S1872-5813(16)30019-6.

### 24. Effects of Wet Oxidation Process on Biochar Surface in Acid and Alkaline Soil Environments

**PeakFit · 2018 · primary indexed excerpt**

Deconvolve C 1s and O 1s spectra of oxidized biochars to compare surface functional groups. The recorded outputs are Normalized integrated component areas and relative functional-group proportions. The recovered peak model or component description is Not specified in recovered text. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC6317012/)

**Authors:** Qinya Fan; Liqiang Cui; Guixiang Quan; Sanfei Wang; Jianxiong Sun; Xiangyun Han; Jia Wang; Jinlong Yan. **Version:** 4.12. **Evidence location:** XPS methods paragraph indexed by primary archive.

**Publication affiliations:** Not recovered. **Recovered affiliation countries:** Not recovered. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Primary archive retrieval hit CAPTCHA; detailed reported C 1s/O 1s workflow is indexed evidence, not independently fetched full text. Affiliations have not been primary-source verified. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental primary-source discovery. DOI: 10.3390/ma11122362.

### 25. Fabrication of Multifaceted Micropatterned Surfaces with Laser Scanning Lithography

**PeakFit · 2011 · primary indexed excerpt**

Use Gaussian XPS deconvolution to characterize chemically patterned alkanethiol surfaces. The recorded outputs are Bond-type component contributions and spectral areas. The recovered peak model or component description is Gaussian. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC5978433/), [Primary source 2](https://advanced.onlinelibrary.wiley.com/doi/abs/10.1002/adfm.201100297)

**Authors:** John H. Slater; Jordan S. Miller; Shann S. Yu; Jennifer L. West. **Version:** Not recovered. **Evidence location:** Experimental XPS Measurements paragraph indexed in primary archive.

**Publication affiliations:** Rice University, Department of Bioengineering. **Recovered affiliation countries:** United States. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Do not confuse this 2011 paper with a 2014 methods chapter. PeakFit supports surface chemical characterization; fabrication and cell imaging are separate operations. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplemental primary-source discovery. DOI: 10.1002/adfm.201100297.

### 26. In-situ monitoring of nitrate in industrial wastewater using Fourier transform infrared attenuated total reflectance spectroscopy (FTIR-ATR) coupled with chemometrics methods

**PeakFit · 2022 · primary indexed excerpt**

Gaussian deconvolution of 1700–1200 inverse-cm spectra isolates characteristic nitrate absorption in complex wastewater. The recorded outputs are Deconvolved absorption components; reported fit R2 above 0.95 and SSE below 0.116. The recovered peak model or component description is Gaussian. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC9816775/), [Primary source 2](https://pubmed.ncbi.nlm.nih.gov/36619407/)

**Authors:** Fangqun Gan; Ke Wu; Fei Ma; Cuilan Wei; Changwen Du. **Version:** 4.12. **Evidence location:** Section 3.4 indexed primary text.

**Publication affiliations:** Institute of Soil Science, Chinese Academy of Sciences; Jiangsu Open University; University of Chinese Academy of Sciences. **Recovered affiliation countries:** China. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Subsequent PLSR and support-vector-regression models are separate chemometric steps, not PeakFit functionality. Fit thresholds apply to reported spectra; no transferable accuracy guarantee. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental primary-source discovery. DOI: 10.1016/j.heliyon.2022.e12423.

### 27. Phase Transition and Metallization of Orpiment by Raman Spectroscopy, Electrical Conductivity and Theoretical Calculation under High Pressure

**PeakFit · 2019 · primary indexed excerpt**

Fit Raman modes across pressure conditions as one component of a multi-technique phase-transition study. The recorded outputs are Raman mode positions and uncertainty. The recovered peak model or component description is Not recovered. [Primary source 1](https://pmc.ncbi.nlm.nih.gov/articles/PMC6427194/), [Primary source 2](https://pubmed.ncbi.nlm.nih.gov/30866449/)

**Authors:** Kaixiang Liu; Lidong Dai; Heping Li; Haiying Hu; Linfei Yang; Chang Pu; Meiling Hong; Pengfei Liu. **Version:** Not recovered. **Evidence location:** Raman experimental methods indexed primary text.

**Publication affiliations:** Institute of Geochemistry, Chinese Academy of Sciences. **Recovered affiliation countries:** China. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Primary indexed methods identify PeakFit, but vendor/version were not recovered; commercial product identity is less explicit than the v4.12/SeaSolve cases. Electrical conductivity and theoretical calculations are separate evidence. Product identity confidence: named_PeakFit_vendor_unresolved. Corpus relation: supplemental primary-source discovery. DOI: 10.3390/ma12050784.

### 28. Poly(vinyl methyl ether) hydrogels at temperatures below the freezing point of water—molecular interactions and states of water

**PeakFit · 2014 · fulltext methods**

Normalize Raman spectra to unit area then deconvolve OH stretching into four components to compare states of water below freezing. The recorded outputs are Component integrated intensities; comparisons of water states. The recovered peak model or component description is Four OH components; exact analytical shape not stated in recovered paragraph. [Primary source 1](https://link.springer.com/article/10.1007/s00396-014-3283-z)

**Authors:** Marcin Pastorczak; Gustavo Dominguez-Espinosa; Lidia Okrasa; Marcin Kozanecki; Marek Pyda; Janusz M. Rosiak; Jacek Ulanski. **Version:** 4.12. **Evidence location:** Experimental spectral normalization and deconvolution paragraph.

**Publication affiliations:** Lodz University of Technology; Rzeszow University of Technology; Technological Lab of Uruguay. **Recovered affiliation countries:** Poland; Uruguay. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Spectral component interpretation is combined with dielectric spectroscopy and calorimetry; PeakFit itself does not establish water-state assignments. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental primary-source discovery. DOI: 10.1007/s00396-014-3283-z.

### 29. Superionic iron oxide–hydroxide in Earth’s deep mantle

**PeakFit · 2021 · primary indexed excerpt**

Fit Raman spectra to determine mode positions in high-pressure iron oxide-hydroxide research. The recorded outputs are Raman mode positions. The recovered peak model or component description is Not recovered. [Primary source 1](https://hpstar.ac.cn/upload/files/2021/3/890309acb7de928b.pdf), [Primary source 2](https://www.nature.com/articles/s41561-021-00696-2)

**Authors:** Mingqiang Hou; Yu He; Bo Gyu Jang; Shichuan Sun; Yukai Zhuang; Liwei Deng; Ruilian Tang; Jiuhua Chen; Feng Ke; Yue Meng; Vitali B. Prakapenka; Bin Chen; Ji Hoon Shim; Jin Liu; Duck Young Kim; Qingyang Hu; Chris J. Pickard; Richard J. Needs; Ho-Kwang Mao. **Version:** 4.12. **Evidence location:** Repository PDF Raman methods indexed excerpt; publisher Code availability identifies Systat product.

**Publication affiliations:** Center for High Pressure Science and Technology Advanced Research. **Recovered affiliation countries:** China. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Only first reported affiliation has been extracted; this is a multinational author team and the country list is incomplete. Experimental conductivity and atomistic simulations are separate from PeakFit analysis. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental primary-source discovery. DOI: 10.1038/s41561-021-00696-2.

### 30. Pressure-temperature stability studies of FeOOH using x-ray diffraction

**PeakFit · 2008 · primary indexed excerpt**

Separate peak fitting of 200-degree-C isotherm diffraction data provides a cross-check on lattice parameters against GSAS analysis. The recorded outputs are Lattice parameters and agreement within errors with GSAS. The recovered peak model or component description is Not recovered. [Primary source 1](https://escholarship.org/content/qt3k5767cv/qt3k5767cv_noSplash_b9cfc5ee2cba25181af54a31705b2b1b.pdf?t=lnranf), [Primary source 2](https://digital.library.unt.edu/ark%3A/67531/metadc932974/)

**Authors:** Arianna E. Gleason; Raymond Jeanloz; Martin Kunz. **Version:** Not recovered. **Evidence location:** Results paragraph in author repository manuscript indexed excerpt.

**Publication affiliations:** Lawrence Berkeley National Laboratory; University of California, Berkeley. **Recovered affiliation countries:** United States. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Jandel PeakFit identity is explicit in recovered source. Do not attribute Birch–Murnaghan equation-of-state fitting to PeakFit; the supported role is XRD peak fitting. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplemental primary-source discovery. DOI: 10.2138/am.2008.2942.

### 31. The hydrocarbon-bearing clathrasil chibaite and its host–guest structure at low temperature

**PeakFit · 2018 · fulltext methods**

Background-subtracted Raman band fitting at room and low temperatures supports characterization of hydrocarbon guests and structural change. The recorded outputs are Band positions and FWHM. The recovered peak model or component description is Lorentzian–Gaussian; Gauss–Lorentz area method. [Primary source 1](https://journals.iucr.org/m/issues/2018/05/00/lt5009/)

**Authors:** K. S. Scheidl; H. S. Effenberger; T. Yagi; K. Momma; R. Miletich. **Version:** 4.1.2 (bibliographic citation). **Evidence location:** Experimental section Raman; PeakFit bibliographic reference.

**Publication affiliations:** National Museum of Nature and Science, Tsukuba; University of Tokyo; University of Vienna. **Recovered affiliation countries:** Austria; Japan. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Source prints version 4.1.2; preserve this notation rather than silently normalizing to 4.12. Structural conclusions also rely on single-crystal diffraction. Product identity confidence: methods_context_commercial_product. Corpus relation: supplemental primary-source discovery. DOI: 10.1107/S2052252518009107.

### 32. Cellulose crystallinity index: measurement techniques and their impact on interpreting cellulase performance

**PeakFit · 2010 · fulltext methods**

Use Gaussian component fitting and an amorphous broad contribution near 21.5 degrees to calculate area-based cellulose crystallinity; compare measurement approaches. The recorded outputs are Crystalline and total areas; crystallinity index. The recovered peak model or component description is Gaussian crystalline peaks; broad amorphous component. [Primary source 1](https://link.springer.com/article/10.1186/1754-6834-3-10)

**Authors:** Sunkyu Park; John O. Baker; Michael E. Himmel; Philip A. Parilla; David K. Johnson. **Version:** Not recovered. **Evidence location:** Methods peak-deconvolution XRD approach; Authors and Affiliations.

**Publication affiliations:** National Renewable Energy Laboratory; North Carolina State University. **Recovered affiliation countries:** United States. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Study warns that crystallinity indices depend on measurement technique; fit-derived percentages should not be treated as universally interchangeable. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplemental primary-source discovery. DOI: 10.1186/1754-6834-3-10.

### 33. Toughening mechanisms in cellulose nanopaper: the contribution of amorphous regions

**PeakFit · 2017 · fulltext methods**

Deconvolve diffraction into four crystalline components plus broad amorphous contribution near 21.5 degrees for area-based crystallinity. The recorded outputs are Crystallinity index from integrated areas. The recovered peak model or component description is Four crystalline peaks and amorphous contribution; exact shape not established here. [Primary source 1](https://link.springer.com/article/10.1007/s10570-017-1453-0)

**Authors:** Rui Mao; Nan Meng; Wei Tu; Ton Peijs. **Version:** Not recovered. **Evidence location:** Methods XRD and crystallinity equation; Authors and Affiliations.

**Publication affiliations:** Nanoforce Technology Ltd.; Queen Mary University of London. **Recovered affiliation countries:** United Kingdom. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** PeakFit supports structural characterization; tensile testing and toughness interpretation are separate experimental steps. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplemental primary-source discovery. DOI: 10.1007/s10570-017-1453-0.

### 34. MINERALOGI BENTONIT TASIKMALAYA SEBAGAI MEDIA PENYERAP CO2 MELALUI KARBONASI HIDROTERMAL

**PeakFit · 2018 · primary abstract**

Support semiquantitative XRD analysis of calcite formed in hydrothermal carbonation of Tasikmalaya bentonite. The recorded outputs are Semiquantitative mineral contribution; calcite characterization. The recovered peak model or component description is Not specified in abstract. [Primary source 1](https://jrisetgeotam.brin.go.id/index.php/jrisgeotam/article/view/401)

**Authors:** Anita Yuliyanti; Anggoro Tri Mursito; Widodo Widodo; Syamsul Rizal Muharam. **Version:** Not recovered. **Evidence location:** Publisher abstract; reference to Systat PeakFit overview.

**Publication affiliations:** Not recovered. **Recovered affiliation countries:** Not recovered. These affiliations describe the publication context and do not establish license ownership or endorsement.

**Scope and limitations:** Study locality is Tasikmalaya, Indonesia; author affiliations were not extracted, so Indonesia is not counted as a verified affiliation country. Do not infer industrial carbon-capture deployment from this laboratory study. Product identity confidence: named_product_context_vendor_version_not_always_recovered. Corpus relation: supplemental primary-source discovery. DOI: 10.14203/risetgeotam2018.v28.401.

## Knowledge-base files and reuse

Package overview (included in the complete knowledge-base ZIP), statistics (included in the complete knowledge-base ZIP), publication candidates (included in the complete knowledge-base ZIP), and searchable database (included in the complete knowledge-base ZIP) accompany the report. The package retains source provenance and evidence limitations so that domain examples can be checked before reuse. The original supplied HTML files remain unchanged. Newly gathered source text is paraphrased rather than redistributed as long article passages, and researcher email addresses are omitted.