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| <li class="toctree-l2"><a class="reference internal" href="#peptide-and-ion-mass-mz-calculations-peptide">Peptide and ion mass / mz calculations: <code class="code docutils literal notranslate"><span class="pre">peptide</span></code></a></li> | ||
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| <li class="toctree-l2"><a class="reference internal" href="#spectral-similarity-calculation-similarity">Spectral similarity calculation: <code class="code docutils literal notranslate"><span class="pre">similarity</span></code></a></li> | ||
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| <h1>API<a class="headerlink" href="#api" title="Link to this heading"></a></h1> | ||
| <p>Import spectrum_fundamentals using</p> | ||
| <div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">import</span> <span class="nn">spectrum_fundamentals</span> <span class="k">as</span> <span class="nn">specfun</span> | ||
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| <section id="peptide-and-ion-mass-mz-calculations-peptide"> | ||
| <h2>Peptide and ion mass / mz calculations: <code class="code docutils literal notranslate"><span class="pre">peptide</span></code><a class="headerlink" href="#peptide-and-ion-mass-mz-calculations-peptide" title="Link to this heading"></a></h2> | ||
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| <section id="annotation-of-spectra-annot"> | ||
| <h2>Annotation of spectra: <code class="code docutils literal notranslate"><span class="pre">annot</span></code><a class="headerlink" href="#annotation-of-spectra-annot" title="Link to this heading"></a></h2> | ||
| </section> | ||
| <section id="spectral-similarity-calculation-similarity"> | ||
| <h2>Spectral similarity calculation: <code class="code docutils literal notranslate"><span class="pre">similarity</span></code><a class="headerlink" href="#spectral-similarity-calculation-similarity" title="Link to this heading"></a></h2> | ||
| </section> | ||
| <section id="further-utility-functions-utils"> | ||
| <h2>Further utility functions: <code class="code docutils literal notranslate"><span class="pre">utils</span></code><a class="headerlink" href="#further-utility-functions-utils" title="Link to this heading"></a></h2> | ||
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| .. module:: spectrum_fundamentals | ||
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| .. automodule:: spectrum_fundamentals | ||
| :noindex: | ||
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| API | ||
| === | ||
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| Import spectrum_fundamentals using | ||
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| .. code-block:: python | ||
| import spectrum_fundamentals as specfun | ||
| Modstring conversions: :code:`convert` | ||
| -------------------------------------- | ||
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| Peptide and ion mass / mz calculations: :code:`peptide` | ||
| ------------------------------------------------------- | ||
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| Annotation of spectra: :code:`annot` | ||
| ------------------------------------ | ||
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| Spectral similarity calculation: :code:`similarity` | ||
| --------------------------------------------------- | ||
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| Further utility functions: :code:`utils` | ||
| ---------------------------------------- |
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| .. sidebar:: Key Contributors | ||
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| Current developers | ||
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| * `Mario Picciani <https://github.com/picciama>`_: lead developer since 2022, maintainer | ||
| * `Mostafa Kalhor <https://github.com/mostafakalhor>`_: developer, crosslinking | ||
| * `Wassim Gabriel <https://github.com/WassimG>`_: developer, PTMs, neutral losses, GUI | ||
| * `Arne van den Berg <https://github.com/arne-vdb>`_: developer, diverse contributions | ||
| * `Victor-George Giurcoiu <https://github.com/victorgiurcoiu>`_: developer, diverse contributions | ||
| * `Ludwig Lautenbacher <https://github.com/LLautenbacher>`_: developer, Koina, GUI | ||
| * `Armin Soleymaniniya <https://github.com/arminsl>`_: developer, GUI | ||
| * `Ayla Schröder <https://github.com/ayla-s>`_: developer, pickedGroupFDR | ||
| * Zixuan Xiao: developer, GUI | ||
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| Previous developers | ||
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| * `Matthew The <https://github.com/MatthewThe>`_: developer, percolator | ||
| * `Omar Shouman <https://github.com/omsh>`_: developer, diverse contributions | ||
| * Firas Hamood: developer, diverse contributions | ||
| * Cecilia Jensen: developer, diverse contributions | ||
| * Julian Mueller: developer, diverse contributions | ||
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| Other roles | ||
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| * `Mathias Wilhelm <https://github.com/mwilhelm42>`_: advisor and PI of wilhelmlab |
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