{"id":38880,"date":"2019-10-31T22:26:31","date_gmt":"2019-10-31T19:26:31","guid":{"rendered":"https:\/\/prohoster.info\/blog\/nedorabotka-v-python-skripte-mogla-privesti-k-nevernym-rezultatam-v-bolee-100-publikatsiyah-po-himii\/"},"modified":"2019-10-31T22:26:31","modified_gmt":"2019-10-31T19:26:31","slug":"nedorabotka-v-python-skripte-mogla-privesti-k-nevernym-rezultatam-v-bolee-100-publikatsiyah-po-himii","status":"publish","type":"post","link":"https:\/\/prohoster.info\/nl\/blog\/news\/nedorabotka-v-python-skripte-mogla-privesti-k-nevernym-rezultatam-v-bolee-100-publikatsiyah-po-himii","title":{"rendered":"Een fout in het Python-script zou kunnen hebben geleid tot onjuiste resultaten in meer dan 100 publicaties over chemie","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p>Aspirant van de Hawaiiaanse universiteit <noindex><a rel=\"nofollow\" href=\"https:\/\/www.vice.com\/en_us\/article\/zmjwda\/a-code-glitch-may-have-caused-errors-in-more-than-100-published-studies\">werd ontdekt<\/a><\/noindex> een probleem in een Python-script dat wordt gebruikt voor berekeningen  <noindex><a rel=\"nofollow\" href=\"https:\/\/ru.wikipedia.org\/wiki\/%D0%A5%D0%B8%D0%BC%D0%B8%D1%87%D0%B5%D1%81%D0%BA%D0%B8%D0%B9_%D1%81%D0%B4%D0%B2%D0%B8%D0%B3\">chemische verschuiving<\/a><\/noindex>, dat de chemische structuur van de bestudeerde stof bepaalt bij de spectrale analyse van signalen met behulp van <noindex><a rel=\"nofollow\" href=\"https:\/\/ru.wikipedia.org\/wiki\/%D0%AF%D0%B4%D0%B5%D1%80%D0%BD%D1%8B%D0%B9_%D0%BC%D0%B0%D0%B3%D0%BD%D0%B8%D1%82%D0%BD%D1%8B%D0%B9_%D1%80%D0%B5%D0%B7%D0%BE%D0%BD%D0%B0%D0%BD%D1%81\">nucleaire magnetische resonantie<\/a><\/noindex>. Tijdens de verificatie van de onderzoeksresultaten van een van zijn professoren merkte de aspirant op dat bij het uitvoeren van het script op verschillende besturingssystemen met dezelfde dataset verschillende resultaten werden verkregen.<\/p>\n<p>Bijvoorbeeld, bij het uitvoeren in macOS 10.14 en Ubuntu 16.04 gaf het script voor de geteste dataset <noindex><a rel=\"nofollow\" href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.orglett.9b03216\">een<\/a><\/noindex> onjuist waarde van 172.4 in plaats van 173.2. Het script bevat ongeveer 1000 regels code en wordt door chemici gebruikt sinds 2014. Een studie van de code toonde aan dat de onjuiste uitvoer <noindex><a rel=\"nofollow\" href=\"https:\/\/twitter.com\/LucasCMoore\/status\/1181615421922824192\">te wijten was aan<\/a><\/noindex> verschillen bij het sorteren van bestanden in verschillende besturingssystemen. De auteurs van het script dachten dat de functie &#171;<noindex><a rel=\"nofollow\" href=\"https:\/\/docs.python.org\/3\/library\/glob.html\">glob()<\/a><\/noindex>&#187; altijd bestanden retourneert, gesorteerd op naam, terwijl in de documentatie van glob vermeld staat dat de volgorde van output niet gegarandeerd is. De correctie bestond uit het toevoegen van list_of_files.sort() na de aanroep van glob().<\/p>\n<p><center><noindex><a rel=\"nofollow\" href=\"https:\/\/pubs.acs.org\/na101\/home\/literatum\/publisher\/achs\/journals\/content\/orlef7\/0\/orlef7.ahead-of-print\/acs.orglett.9b03216\/20191007\/images\/medium\/ol9b03216_0003.gif\"><img decoding=\"async\" alt=\"Een fout in het Python-script zou kunnen hebben geleid tot onjuiste resultaten in meer dan 100 publicaties over chemie\" src=\"\/wp-content\/uploads\/2019\/10\/8fef91f04306986ab84d1484a5fc1a1c.jpg\" style=\"display:block;margin: 0 auto;\" \/><\/a><\/noindex><\/center><\/p>\n<p>Het ontdekte probleem heeft de juistheid van meer dan 100 publicaties in de chemie in twijfel getrokken, waarvan de conclusies zijn gebaseerd op de berekende chemische verschuiving van het script. Het exacte aantal studies waarin het script werd gebruikt is onbekend, maar de publicatie met de code ervan is geciteerd in 158 werken. De auteurs van deze werken is aangeraden om de nauwkeurigheid van het script te evalueren op de gebruikte besturingssystemen en de berekeningen opnieuw uit te voeren om de juistheid van de berekende waarden te verifi\u00ebren. Dit voorval is een uitstekend voorbeeld van hoe niet alleen de kwaliteit van de experimenten, maar ook de correctheid van de verwerking van de data in de programma's, die hiervoor algemeen werden gebruikt, de uiteindelijke resultaten kan be\u00efnvloeden.<br \/>\nDe aspirant van de Hawaiiaanse universiteit ontdekte een probleem in.<\/p>\n<p><noindex><a rel=\"nofollow\" name=\"link\"><\/a><\/noindex><\/p>\n<p>Bron: <a \ncontent=\"nofollow\" rel=\"nofollow\" href=\"https:\/\/www.opennet.ru\/opennews\/art.shtml?num=51667\">opennet.ru<\/a><\/p>","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>\u0410\u0441\u043f\u0438\u0440\u0430\u043d\u0442 \u0433\u0430\u0432\u0430\u0439\u0441\u043a\u043e\u0433\u043e \u0443\u043d\u0438\u0432\u0435\u0440\u0441\u0438\u0442\u0435\u0442\u0430 \u043e\u0431\u043d\u0430\u0440\u0443\u0436\u0438\u043b \u043f\u0440\u043e\u0431\u043b\u0435\u043c\u0443 \u0432 Python-\u0441\u043a\u0440\u0438\u043f\u0442\u0435, \u0438\u0441\u043f\u043e\u043b\u044c\u0437\u0443\u0435\u043c\u043e\u043c \u0434\u043b\u044f \u0432\u044b\u0447\u0438\u0441\u043b\u0435\u043d\u0438\u0439 \u0445\u0438\u043c\u0438\u0447\u0435\u0441\u043a\u043e\u0433\u043e \u0441\u0434\u0432\u0438\u0433\u0430, \u043e\u043f\u0440\u0435\u0434\u0435\u043b\u044f\u044e\u0449\u0435\u0433\u043e \u0445\u0438\u043c\u0438\u0447\u0435\u0441\u043a\u043e\u0435 \u0441\u0442\u0440\u043e\u0435\u043d\u0438\u0435 \u0438\u0437\u0443\u0447\u0430\u0435\u043c\u043e\u0433\u043e \u0432\u0435\u0449\u0435\u0441\u0442\u0432\u0430 \u043f\u0440\u0438 \u0441\u043f\u0435\u043a\u0442\u0440\u0430\u043b\u044c\u043d\u043e\u043c \u0430\u043d\u0430\u043b\u0438\u0437\u0435 \u0441\u0438\u0433\u043d\u0430\u043b\u043e\u0432 \u043c\u0435\u0442\u043e\u0434\u043e\u043c \u044f\u0434\u0435\u0440\u043d\u043e\u0433\u043e-\u043c\u0430\u0433\u043d\u0438\u0442\u043d\u043e\u0433\u043e \u0440\u0435\u0437\u043e\u043d\u0430\u043d\u0441\u0430. \u0412 \u0445\u043e\u0434\u0435 \u0432\u0435\u0440\u0438\u0444\u0438\u043a\u0430\u0446\u0438\u0438 \u0440\u0435\u0437\u0443\u043b\u044c\u0442\u0430\u0442\u043e\u0432 \u0438\u0441\u0441\u043b\u0435\u0434\u043e\u0432\u0430\u043d\u0438\u0439 \u043e\u0434\u043d\u043e\u0433\u043e \u0438\u0437 \u0441\u0432\u043e\u0438\u0445 \u043f\u0440\u043e\u0444\u0435\u0441\u0441\u043e\u0440\u043e\u0432 \u0430\u0441\u043f\u0438\u0440\u0430\u043d\u0442 \u0437\u0430\u043c\u0435\u0442\u0438\u043b, \u0447\u0442\u043e \u043f\u0440\u0438 \u0432\u044b\u043f\u043e\u043b\u043d\u0435\u043d\u0438\u0438 \u0441\u043a\u0440\u0438\u043f\u0442\u0430 \u0432 \u0440\u0430\u0437\u043d\u044b\u0445 \u043e\u043f\u0435\u0440\u0430\u0446\u0438\u043e\u043d\u043d\u044b\u0445 \u0441\u0438\u0441\u0442\u0435\u043c\u0430\u0445 \u043d\u0430\u0434 \u043e\u0434\u043d\u0438\u043c \u0438 \u0442\u0435\u043c \u0436\u0435 \u043d\u0430\u0431\u043e\u0440\u043e\u043c \u0434\u0430\u043d\u043d\u044b\u0445 \u043d\u0430 \u0432\u044b\u0445\u043e\u0434\u0435 \u043f\u043e\u043b\u0443\u0447\u0430\u043b\u0441\u044f \u0440\u0430\u0437\u043d\u044b\u0439 \u0440\u0435\u0437\u0443\u043b\u044c\u0442\u0430\u0442. [&hellip;]<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":29167,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[702],"tags":[],"class_list":["post-38880","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-news"],"aioseo_notices":[],"aioseo_head":"\n\t\t<!-- All in One SEO 5.0.3 - aioseo.com -->\n\t<meta name=\"description\" content=\"\u0410\u0441\u043f\u0438\u0440\u0430\u043d\u0442 \u0433\u0430\u0432\u0430\u0439\u0441\u043a\u043e\u0433\u043e \u0443\u043d\u0438\u0432\u0435\u0440\u0441\u0438\u0442\u0435\u0442\u0430 \u043e\u0431\u043d\u0430\u0440\u0443\u0436\u0438\u043b \u043f\u0440\u043e\u0431\u043b\u0435\u043c\u0443 \u0432.\" \/>\n\t<meta name=\"robots\" content=\"max-image-preview:large\" \/>\n\t<meta name=\"author\" content=\"Yuri Gagarin\"\/>\n\t<link rel=\"canonical\" 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