{"id":363,"date":"2013-07-13T03:13:43","date_gmt":"2013-07-13T02:13:43","guid":{"rendered":"http:\/\/antonpotocnik.com\/?p=363"},"modified":"2024-05-26T15:25:32","modified_gmt":"2024-05-26T14:25:32","slug":"nmrfit","status":"publish","type":"post","link":"https:\/\/antonpotocnik.com\/?p=363","title":{"rendered":"nmrFit"},"content":{"rendered":"<p><strong>nmrFit<\/strong> is a Matlab-based tool for analysis of nuclear magnetic resonance (NMR) spectra. The program allows to load a series of spectra, typically as a function of temperature, and then perform various analysis on the entire series.<\/p>\n<h3>Features<\/h3>\n<ul>\n<li>Automatic fast fourier transform with auto phase and auto SHL option.<\/li>\n<li>Spectral moment analysis<\/li>\n<li>Fitting spectra with numerical simulations (fminsearch)<\/li>\n<li>Background correction<\/li>\n<li>Spectra multiplication, substration, shift, and normalization<\/li>\n<\/ul>\n<p>Numerical functions are defined in separate file, so one can easily add new functions.<\/p>\n<h3>Recognized file formats<\/h3>\n<ul>\n<li>In-house 7NMR file format<\/li>\n<li>Andra\u017e Krajnc developed conversion tool from Bruker NMR data files to 7NMR format<\/li>\n<li>Two column ascii data file (spectre only)<\/li>\n<\/ul>\n<h3>Screen shots<\/h3>\n\n\t\t<style type=\"text\/css\">\n\t\t\t#gallery-1 {\n\t\t\t\tmargin: auto;\n\t\t\t}\n\t\t\t#gallery-1 .gallery-item {\n\t\t\t\tfloat: left;\n\t\t\t\tmargin-top: 10px;\n\t\t\t\ttext-align: center;\n\t\t\t\twidth: 33%;\n\t\t\t}\n\t\t\t#gallery-1 img {\n\t\t\t\tborder: 2px solid #cfcfcf;\n\t\t\t}\n\t\t\t#gallery-1 .gallery-caption {\n\t\t\t\tmargin-left: 0;\n\t\t\t}\n\t\t\t\/* see gallery_shortcode() in wp-includes\/media.php *\/\n\t\t<\/style>\n\t\t<div id='gallery-1' class='gallery galleryid-363 gallery-columns-3 gallery-size-thumbnail'><dl class='gallery-item'>\n\t\t\t<dt class='gallery-icon landscape'>\n\t\t\t\t<a href='https:\/\/antonpotocnik.com\/?attachment_id=332'><img loading=\"lazy\" decoding=\"async\" width=\"150\" height=\"150\" src=\"https:\/\/antonpotocnik.com\/wp-content\/uploads\/2013\/07\/nmrFit1-150x150.png\" class=\"attachment-thumbnail size-thumbnail\" alt=\"\" aria-describedby=\"gallery-1-332\" \/><\/a>\n\t\t\t<\/dt>\n\t\t\t\t<dd class='wp-caption-text gallery-caption' id='gallery-1-332'>\n\t\t\t\tFast Fourier Transform\n\t\t\t\t<\/dd><\/dl><dl class='gallery-item'>\n\t\t\t<dt class='gallery-icon landscape'>\n\t\t\t\t<a href='https:\/\/antonpotocnik.com\/?attachment_id=333'><img loading=\"lazy\" decoding=\"async\" width=\"150\" height=\"150\" src=\"https:\/\/antonpotocnik.com\/wp-content\/uploads\/2013\/07\/nmrFit2-150x150.png\" class=\"attachment-thumbnail size-thumbnail\" alt=\"\" aria-describedby=\"gallery-1-333\" \/><\/a>\n\t\t\t<\/dt>\n\t\t\t\t<dd class='wp-caption-text gallery-caption' id='gallery-1-333'>\n\t\t\t\tSpecral moment analysis\n\t\t\t\t<\/dd><\/dl><dl class='gallery-item'>\n\t\t\t<dt class='gallery-icon landscape'>\n\t\t\t\t<a href='https:\/\/antonpotocnik.com\/?attachment_id=334'><img loading=\"lazy\" decoding=\"async\" width=\"150\" height=\"150\" src=\"https:\/\/antonpotocnik.com\/wp-content\/uploads\/2013\/07\/nmrFit3-150x150.png\" class=\"attachment-thumbnail size-thumbnail\" alt=\"\" aria-describedby=\"gallery-1-334\" \/><\/a>\n\t\t\t<\/dt>\n\t\t\t\t<dd class='wp-caption-text gallery-caption' id='gallery-1-334'>\n\t\t\t\tSimulaton of powder spectra\n\t\t\t\t<\/dd><\/dl><br style=\"clear: both\" \/>\n\t\t<\/div>\n\n<h3>Source Code<\/h3>\n<p>Distributed under GNU GPL license. If the analysis obtained by this tool is going to be published in any journal, the authors are required to cite this webpage.<\/p>\n<p><a href=\"https:\/\/github.com\/apotocnik\/nmrFit\" target=\"_blank\" rel=\"noopener\">https:\/\/github.com\/apotocnik\/nmrFit<\/a><\/p>\n<h3>Documentation<\/h3>\n<p>The use of the program is very similar to <a title=\"eprFit\" href=\"https:\/\/antonpotocnik.com\/?p=360\">eprFit<\/a>.<\/p>\n<p>For more information or bug report please <a title=\"Contact Page\" href=\"https:\/\/antonpotocnik.com\/?page_id=83\">contact me<\/a>.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>nmrFit is a Matlab-based tool for analysis of nuclear magnetic resonance (NMR) spectra. The program allows to load a series of spectra, typically as a function of temperature, and then perform various analysis on the entire series. Features Automatic fast fourier transform with auto phase and auto SHL option. Spectral moment analysis Fitting spectra with&hellip;<\/p>\n","protected":false},"author":1,"featured_media":334,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"jetpack_post_was_ever_published":false,"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_memberships_contains_paid_content":false,"footnotes":"","jetpack_publicize_message":"","jetpack_publicize_feature_enabled":true,"jetpack_social_post_already_shared":true,"jetpack_social_options":{"image_generator_settings":{"template":"highway","default_image_id":0,"font":"","enabled":false},"version":2}},"categories":[18],"tags":[13,19],"class_list":["post-363","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-software","tag-nmr","tag-tools"],"jetpack_publicize_connections":[],"jetpack_featured_media_url":"https:\/\/antonpotocnik.com\/wp-content\/uploads\/2013\/07\/nmrFit3.png","jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/s3Hjcy-nmrfit","_links":{"self":[{"href":"https:\/\/antonpotocnik.com\/index.php?rest_route=\/wp\/v2\/posts\/363","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/antonpotocnik.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/antonpotocnik.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/antonpotocnik.com\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/antonpotocnik.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=363"}],"version-history":[{"count":7,"href":"https:\/\/antonpotocnik.com\/index.php?rest_route=\/wp\/v2\/posts\/363\/revisions"}],"predecessor-version":[{"id":721649,"href":"https:\/\/antonpotocnik.com\/index.php?rest_route=\/wp\/v2\/posts\/363\/revisions\/721649"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/antonpotocnik.com\/index.php?rest_route=\/wp\/v2\/media\/334"}],"wp:attachment":[{"href":"https:\/\/antonpotocnik.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=363"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/antonpotocnik.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=363"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/antonpotocnik.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=363"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}