{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,19]],"date-time":"2026-10-19T21:51:57Z","timestamp":1792446717288,"version":"4.5.0"},"reference-count":38,"publisher":"International Union of Crystallography (IUCr)","issue":"10","license":[{"start":{"date-parts":[[2026,9,23]],"date-time":"2026-09-23T00:00:00Z","timestamp":1790121600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2026,9,23]],"date-time":"2026-09-23T00:00:00Z","timestamp":1790121600000},"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":["Acta Crystallogr C Struct Chem","Acta Crystallogr C","Acta Crystallogr C Cryst Struct Commun","Acta Cryst C","Acta Cryst C Struct Chem","Acta Cryst Sect C","Acta Cryst Sect C Struct Chem","Acta Crystallogr Sect C","Acta Crystallogr Sect C Struct Chem","Acta Crystallogr Sect C Cryst Struct Commun"],"accepted":{"date-parts":[[2026,9,4]]},"published-print":{"date-parts":[[2026,10,1]]},"abstract":"<jats:p>\n                    With\n                    <jats:italic>checkCIF<\/jats:italic>\n                    the IUCr has created a unique platform for the validation and archiving of the result of a small-molecule crystal structure study. That information, supplied in CIF (crystallographic information file) format, should include not only the numerical results of that study but also much of the supporting experimental data and details of the procedures used during the structural investigation. This not only allows for a proper validation of a structure report but also provides an option for a future re-evaluation or use of the data for an unrelated study. The experimental data might be difficult to obtain again or even unique. George Sheldrick's\n                    <jats:italic>SHELX<\/jats:italic>\n                    software was an early adopter of CIF and with that has played a major role in the success of the IUCr validation effort. IUCr\/\n                    <jats:italic>checkCIF<\/jats:italic>\n                    initially started out with tests that check for the completeness of the supplied data, along with tests that check whether their values are within the expected range. Currently, the\n                    <jats:italic>PLATON<\/jats:italic>\n                    software carries out most of the tests in the IUCr\/\n                    <jats:italic>checkCIF<\/jats:italic>\n                    software framework. Validation issues are reported as a set of ALERTS along with a short clarification. All ALERT messages should be inspected, addressed with a correction where applicable or a short explanation of a special situation. Some ALERT messages are informative but do not necessarily need a comment. More detailed information about a reported issue, such as warnings about missed twinning, missed additional symmetry or voids, might be obtained with a locally installed version of the\n                    <jats:italic>PLATON<\/jats:italic>\n                    software using the same tools on which those ALERTS are based. As an example of this, the use of the\n                    <jats:italic>PLATON<\/jats:italic>\n                    \/\n                    <jats:italic>TwinRotMat<\/jats:italic>\n                    tool for the detection of twinning is discussed along with some details about the underlying algorithm. Three twinning examples are presented, covering merohedral, pseudomerohedral and non-merohedral twins, to illustrate the additional twinning information that can be obtained beyond what is shown as an ALERT in the IUCr\/\n                    <jats:italic>checkCIF<\/jats:italic>\n                    report.\n                  <\/jats:p>","DOI":"10.1107\/s2053229626009319","type":"journal-article","created":{"date-parts":[[2026,9,14]],"date-time":"2026-09-14T15:24:57Z","timestamp":1789399497000},"page":"595-602","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":1,"title":["On the\n                    <i>SHELX<\/i>\n                    ,\n                    <i>PLATON<\/i>\n                    and IUCr\/\n                    <i>checkCIF<\/i>\n                    crystal structure validation platform"],"prefix":"10.1107","volume":"82","author":[{"given":"Anthony L.","family":"Spek","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2026,9,23]]},"reference":[{"key":"gz3274_bb1","doi-asserted-by":"crossref","first-page":"1487","DOI":"10.1107\/S0021889803021800","volume":"36","author":"Betteridge","year":"2003","journal-title":"J. Appl. Cryst."},{"key":"gz3274_bb2","unstructured":"Beurskens, P. T., Beurskens, G., Bosman, W. P., de Gelder, R., Garcia-Granda, S., Gould, R. O., Israel, R. & Smits, J. M. M. (1996). The DIRDIF program system. University of Nijmegen, The Netherlands."},{"key":"gz3274_bb3","doi-asserted-by":"crossref","first-page":"216","DOI":"10.1107\/S0108767383000495","volume":"39","author":"Brown","year":"1983","journal-title":"Acta Cryst. A"},{"key":"gz3274_bb4","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1107\/S0021889889004103","volume":"22","author":"Burla","year":"1989","journal-title":"J. Appl. Cryst."},{"key":"gz3274_bb5","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1107\/S0021889802000249","volume":"35","author":"Cooper","year":"2002","journal-title":"J. Appl. Cryst."},{"key":"gz3274_bb6","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1107\/S0021889808042726","volume":"42","author":"Dolomanov","year":"2009","journal-title":"J. Appl. Cryst."},{"key":"gz3274_bb7","doi-asserted-by":"crossref","first-page":"849","DOI":"10.1107\/S0021889812029111","volume":"45","author":"Farrugia","year":"2012","journal-title":"J. Appl. Cryst."},{"key":"gz3274_bb8","doi-asserted-by":"crossref","first-page":"876","DOI":"10.1107\/S0108767383001762","volume":"39","author":"Flack","year":"1983","journal-title":"Acta Cryst. A"},{"key":"gz3274_bb9","doi-asserted-by":"crossref","first-page":"368","DOI":"10.1107\/S0567739471000822","volume":"27","author":"Germain","year":"1971","journal-title":"Acta Cryst. A"},{"key":"gz3274_bb10","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1107\/S2052520616003954","volume":"72","author":"Groom","year":"2016","journal-title":"Acta Cryst. B"},{"key":"gz3274_bb11","doi-asserted-by":"crossref","first-page":"150","DOI":"10.1107\/S0108768112002728","volume":"68","author":"Guzei","year":"2012","journal-title":"Acta Cryst. B"},{"key":"gz3274_bb12","doi-asserted-by":"crossref","first-page":"655","DOI":"10.1107\/S010876739101067X","volume":"47","author":"Hall","year":"1991","journal-title":"Acta Cryst. A"},{"key":"gz3274_bb13","unstructured":"Hall, S. R., Flack, H. D. & Stewart, R. F. (1992). Xtal. University of Western Australia."},{"key":"gz3274_bb14","doi-asserted-by":"crossref","first-page":"e1","DOI":"10.1107\/S1600536809051757","volume":"66","author":"Harrison","year":"2010","journal-title":"Acta Cryst. E"},{"key":"gz3274_bb15","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1107\/S0021889807059870","volume":"41","author":"Hooft","year":"2008","journal-title":"J. Appl. Cryst."},{"key":"gz3274_bb16","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1107\/S0108767309009908","volume":"65","author":"Hooft","year":"2009","journal-title":"Acta Cryst. A"},{"key":"gz3274_bb17","doi-asserted-by":"crossref","first-page":"665","DOI":"10.1107\/S0021889810018601","volume":"43","author":"Hooft","year":"2010","journal-title":"J. Appl. Cryst."},{"key":"gz3274_bb18","doi-asserted-by":"crossref","first-page":"1281","DOI":"10.1107\/S0021889811043202","volume":"44","author":"H\u00fcbschle","year":"2011","journal-title":"J. Appl. Cryst."},{"key":"gz3274_bb19","doi-asserted-by":"crossref","first-page":"164","DOI":"10.1107\/S2053229623002711","volume":"79","author":"Kollitz","year":"2023","journal-title":"Acta Cryst. C"},{"key":"gz3274_bb20","doi-asserted-by":"crossref","first-page":"i104","DOI":"10.1107\/S010827010402092X","volume":"60","author":"Langer","year":"2004","journal-title":"Acta Cryst. C"},{"key":"gz3274_bb21","doi-asserted-by":"crossref","first-page":"800","DOI":"10.1107\/S0108768101014331","volume":"57","author":"Marsh","year":"2001","journal-title":"Acta Cryst. B"},{"key":"gz3274_bb22","doi-asserted-by":"crossref","first-page":"106","DOI":"10.1107\/S2053273313029082","volume":"70","author":"Nespolo","year":"2014","journal-title":"Acta Cryst. A"},{"key":"gz3274_bb23","doi-asserted-by":"crossref","first-page":"414","DOI":"10.1107\/S2053229622006519","volume":"78","author":"Nirmal Ram","year":"2022","journal-title":"Acta Cryst. C"},{"key":"gz3274_bb24","doi-asserted-by":"crossref","first-page":"1995","DOI":"10.1107\/S0907444903017657","volume":"59","author":"Parsons","year":"2003","journal-title":"Acta Cryst. D"},{"key":"gz3274_bb25","doi-asserted-by":"crossref","first-page":"249","DOI":"10.1107\/S2052519213010014","volume":"69","author":"Parsons","year":"2013","journal-title":"Acta Cryst. B"},{"key":"gz3274_bb26","unstructured":"Parsons, S. & Gould, R. O. (2001). ROTAX program. Personal communication."},{"key":"gz3274_bb27","unstructured":"Petricek, V. & Dusek, M. (2000). JANA2000. Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic."},{"key":"gz3274_bb28","doi-asserted-by":"crossref","first-page":"467","DOI":"10.1107\/S0108767390000277","volume":"46","author":"Sheldrick","year":"1990","journal-title":"Acta Cryst. A"},{"key":"gz3274_bb29","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1107\/S0108767307043930","volume":"64","author":"Sheldrick","year":"2008","journal-title":"Acta Cryst. A"},{"key":"gz3274_bb30","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1107\/S2053273314026370","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Cryst. A"},{"key":"gz3274_bb31","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1107\/S2053229614024218","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Cryst. C"},{"key":"gz3274_bb32","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1107\/S0021889802022112","volume":"36","author":"Spek","year":"2003","journal-title":"J. Appl. Cryst."},{"key":"gz3274_bb33","doi-asserted-by":"crossref","first-page":"148","DOI":"10.1107\/S090744490804362X","volume":"65","author":"Spek","year":"2009","journal-title":"Acta Cryst. D"},{"key":"gz3274_bb34","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1107\/S2053229614024929","volume":"71","author":"Spek","year":"2015","journal-title":"Acta Cryst. C"},{"key":"gz3274_bb35","doi-asserted-by":"crossref","first-page":"232","DOI":"10.1016\/j.ica.2017.04.036","volume":"470","author":"Spek","year":"2018","journal-title":"Inorg. Chim. Acta"},{"key":"gz3274_bb36","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1107\/S2056989019016244","volume":"76","author":"Spek","year":"2020","journal-title":"Acta Cryst. E"},{"key":"gz3274_bb37","doi-asserted-by":"crossref","unstructured":"Strickland, P. R., Hoyland, M. A. & McMahon, B. M. (2006). International Tables for Crystallography, Vol. G, Table 5.7.1, pp. 557-569. Chester: International Union of Crystallography","DOI":"10.1107\/97809553602060000757"},{"key":"gz3274_bb38","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1107\/S2053273325002931","volume":"81","author":"Us\u00f3n","year":"2025","journal-title":"Acta Cryst. A"}],"container-title":["Acta Crystallographica Section C Structural Chemistry"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/c\/issues\/2026\/10\/00\/gz3274\/gz3274.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/c\/issues\/2026\/10\/00\/gz3274\/gz3274.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,5]],"date-time":"2026-10-05T15:55:24Z","timestamp":1791215724000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2053229626009319"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9,23]]},"references-count":38,"journal-issue":{"issue":"10","published-online":{"date-parts":[[2026,10]]}},"alternative-id":["S2053229626009319"],"URL":"https:\/\/doi.org\/10.1107\/s2053229626009319","relation":{},"ISSN":["2053-2296"],"issn-type":[{"value":"2053-2296","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,9,23]]},"assertion":[{"value":"Acta Crystallographica Section C: Structural Chemistry","order":0,"name":"journal","label":"Publication","explanation":{"URL":"https:\/\/journals.iucr.org\/c"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/c\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"https:\/\/scripts.iucr.org\/cgi-bin\/citedin?gz3274","order":2,"name":"article_metrics","label":"Article metrics","group":{"name":"general","label":"General"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"3 August 2026","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"4 September 2026","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"23 September 2026","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"\u00a9 2026 Anthony L. Spek","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}},{"value":"Creative Commons Attribution (CC-BY)","order":1,"name":"license","label":"Licence","explanation":{"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}}]}}