{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T05:40:33Z","timestamp":1790833233475,"version":"4.1.0"},"reference-count":38,"publisher":"International Union of Crystallography (IUCr)","issue":"3","license":[{"start":{"date-parts":[[2026,5,8]],"date-time":"2026-05-08T00:00:00Z","timestamp":1778198400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2026,5,8]],"date-time":"2026-05-08T00:00:00Z","timestamp":1778198400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["J Appl Crystallogr","J Appl Cryst"],"accepted":{"date-parts":[[2026,3,23]]},"published-print":{"date-parts":[[2026,6,1]]},"abstract":"<jats:p>\n                    The mean value of weighted residuals (\u2329\u03b6\u232a) was analysed for 8424 published single-crystal X-ray data sets of crystals containing only light elements (C, H, N, O). A striking asymmetry was observed: 71.5% of data sets exhibit positive \u2329\u03b6\u232a values, occurring 2.5 times more often than negative values. This imbalance suggests systematic errors, with evidence pointing to a slight overestimation of observed intensities (\n                    <jats:italic>I<\/jats:italic>\n                    <jats:sub>obs<\/jats:sub>\n                    ). Simulations and theoretical analysis show that such overestimation artificially lowers common data-quality metrics, including the popular merging factor\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sub>merge<\/jats:sub>\n                    , the redundancy independent factor\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sub>r.i.m.<\/jats:sub>\n                    , the precision indicating factor\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sub>p.i.m.<\/jats:sub>\n                    , the weighted agreement factor\n                    <jats:italic>wR<\/jats:italic>\n                    (\n                    <jats:italic>F<\/jats:italic>\n                    <jats:sup>2<\/jats:sup>\n                    ) and even atomic displacement parameters, creating a `rewarding error' that may reinforce confirmation bias. Experimental data confirm these findings, as residual factors reach their minima for \u2329\u03b6\u232a &gt; 0 rather than at zero. These results highlight the need for critical evaluation of data-processing strategies and caution against relying solely on conventional agreement factors as indicators of accuracy.\n                  <\/jats:p>","DOI":"10.1107\/s1600576726003110","type":"journal-article","created":{"date-parts":[[2026,4,30]],"date-time":"2026-04-30T13:08:34Z","timestamp":1777554514000},"page":"707-715","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":2,"title":["Mean weighted residuals reveal systematic overestimation of Bragg intensities in single-crystal diffraction"],"prefix":"10.1107","volume":"59","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3341-4077","authenticated-orcid":true,"given":"Julian","family":"Henn","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6292-9825","authenticated-orcid":true,"given":"Piero","family":"Macchi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Toms","family":"Rekis","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2026,5,8]]},"reference":[{"key":"oc5049_bb1","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1107\/S2053229623002036","volume":"79","author":"Aristov","year":"2023","journal-title":"Acta Cryst. 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