diff --git a/cif_core.dic b/cif_core.dic index 3a02ba2..86544f5 100644 --- a/cif_core.dic +++ b/cif_core.dic @@ -5958,7 +5958,7 @@ save_ save_diffrn_source.device _definition.id '_diffrn_source.device' - _definition.update 2018-02-26 + _definition.update 2026-06-22 _description.text ; Enumerated code for the device providing the source of radiation. @@ -5977,7 +5977,7 @@ save_diffrn_source.device nuclear 'Nuclear reactor.' spallation 'Spallation source.' elect-micro 'Electron microscope.' - rot_anode 'Rotating-anode X-ray tube.' + rot-anode 'Rotating-anode X-ray tube.' synch 'Synchrotron.' save_ @@ -11947,23 +11947,21 @@ save_space_group.bravais_type loop_ _enumeration_set.state - aP - mP - mS - oP - oS - oI - oF - tP - tI - hP - hR - cP - cI - cF - - _description_example.case aP - _description_example.detail 'Triclinic (anorthic) primitive lattice.' + _enumeration_set.detail + aP 'Triclinic primitive' + mP 'Monoclinic primitive' + mS 'Monoclinic centred' + oP 'Orthorhombic primitive' + oS 'Orthorhombic single-face centred' + oI 'Orthorhombic body-centred' + oF 'Orthorhombic all faces centred' + tP 'Tetragonal primitive' + tI 'Tetragonal body-centred' + hP 'Hexagonal primitive' + hR 'Rhombohedral' + cP 'Cubic primitive' + cI 'Cubic body-centred' + cF 'Cubic face-centred' save_ @@ -16177,7 +16175,14 @@ save_AUDIT_CONTACT_AUTHOR _definition.update 2021-06-29 _description.text ; - The category of data items used for contact author(s) details. + The category of data items used for details of the author(s) of the + dataset to whom correspondence about crystallographic details + should be addressed. + This audit contact author list may include authors from + the PUBL_CONTACT_AUTHOR category, i.e. author(s) submitting + and responsible for the manuscript associated with the dataset. + Authors associated with individual data blocks within + this dataset can be declared using the AUDIT_AUTHOR category. ; _name.category_id AUDIT _name.object_id AUDIT_CONTACT_AUTHOR @@ -16192,8 +16197,8 @@ save_audit_contact_author.address _definition.update 2019-01-09 _description.text ; - The mailing address of the author of the data block to whom - correspondence should be addressed. + The mailing address of the author of the dataset to whom + correspondence about crystallographic details should be addressed. ; _name.category_id audit_contact_author _name.object_id address @@ -16219,12 +16224,14 @@ save_audit_contact_author.email _definition.update 2012-11-29 _description.text ; - The electronic mail address of the author of the data block - to whom correspondence should be addressed, in a form - recognizable to international networks. The format of e-mail - addresses is given in Section 3.4, Address Specification, of - Internet Message Format, RFC 2822, P. Resnick (Editor), - Network Standards Group, April 2001. + The electronic mail (e-mail) address of the author of the dataset + to whom correspondence about crystallographic details should be + addressed. + The email address should be given in a form recognizable to + international networks. The format of e-mail addresses is given + in Section 3.4, Address Specification, of Internet Message + Format, RFC 2822, P. Resnick (Editor), Network Standards Group, + April 2001. ; _name.category_id audit_contact_author _name.object_id email @@ -16247,12 +16254,13 @@ save_audit_contact_author.fax _definition.update 2012-11-29 _description.text ; - Facsimile telephone number of the author submitting the manuscript - and data block. - The recommended style is the international dialing prefix, followed - by the area code in parentheses, followed by the local number with - no spaces. The earlier convention of including the international - dialing prefix in parentheses is no longer recommended. + Facsimile telephone number of the author of the dataset to whom + correspondence about crystallographic details should be addressed. + The recommended style is the international dialing prefix, + followed by the area code in parentheses, followed by the local + number with no spaces. The earlier convention of including the + international dialing prefix in parentheses is no longer + recommended. ; _name.category_id audit_contact_author _name.object_id fax @@ -16274,7 +16282,8 @@ save_audit_contact_author.id _definition.update 2025-07-31 _description.text ; - Arbitrary identifier for this author. + Arbitrary identifier for the author of the dataset to whom + correspondence about crystallographic details should be addressed. ; _name.category_id audit_contact_author _name.object_id id @@ -16305,6 +16314,52 @@ save_audit_contact_author.id save_ +save_audit_contact_author.id_iucr + + _definition.id '_audit_contact_author.id_IUCr' + _alias.definition_id '_audit_contact_author_id_IUCr' + _definition.update 2026-06-17 + _description.text +; + Identifier in the IUCr contact database of the author of the + dataset to whom correspondence about crystallographic details + should be addressed. + This is the person contacted by the journal editorial staff. + This identifier may be available from the World Directory of + Crystallographers (https://wdc.iucr.org/). +; + _name.category_id audit_contact_author + _name.object_id id_IUCr + _type.purpose Encode + _type.source Recorded + _type.container Single + _type.contents Word + +save_ + +save_audit_contact_author.id_orcid + + _definition.id '_audit_contact_author.id_ORCID' + _alias.definition_id '_audit_contact_author_id_ORCID' + _definition.update 2026-06-17 + _description.text +; + Identifier in the ORCID registry of the author of the dataset + to whom correspondence about crystallographic details should be + addressed. + ORCID is an open, non-profit, community-driven service to provide + a registry of unique researcher identifiers (https://orcid.org/). +; + _name.category_id audit_contact_author + _name.object_id id_ORCID + _type.purpose Encode + _type.source Recorded + _type.container Single + _type.contents Code + _description_example.case 0000-0002-3272-3161 + +save_ + save_audit_contact_author.name _definition.id '_audit_contact_author.name' @@ -16317,11 +16372,12 @@ save_audit_contact_author.name _definition.update 2023-01-10 _description.text ; - The name of the author of the data block to whom correspondence - should be addressed. The family name(s), followed by a comma and - including any dynastic components, precedes the first name(s) or - initial(s). For authors with only one name, provide the full name - without abbreviation. + The name of the author of the dataset to whom correspondence + about crystallographic details should be addressed. + The family name(s), followed by a comma and including any + dynastic components, precedes the first name(s) or initial(s). + For authors with only one name, provide the full name without + abbreviation. ; _name.category_id audit_contact_author _name.object_id name @@ -16346,7 +16402,8 @@ save_audit_contact_author.phone _definition.update 2012-11-29 _description.text ; - Telephone number of author submitting the manuscript and data block. + Telephone number of the author of the dataset to whom + correspondence about crystallographic details should be addressed. The recommended style is the international dialing prefix, followed by the area code in parentheses, followed by the local number and any extension number prefixed by 'x', with @@ -16450,19 +16507,19 @@ save_AUDIT_SUPPORT _audit_support.award_recipient 1 'Engineering and Physical Sciences Research Council' - 'https://doi.org/10.13039/501100000266' + 10.13039/501100000266 studentship 'EP-M506515-1' 'E. T. Broadhurst' 2 'Swedish Funding Council' ? grant '2017-05333' 'M. Lightowler' 3 'Wellcome Trust' - 'https://doi.org/10.13039/100004440' + 10.13039/100004440 grant 'WT087658' 'University of Edinburgh EM facility' 4 'Scottish Universities Life Sciences Alliance (SULSA)' ? other ? 'University of Edinburgh EM facility' 5 'Harvard Medical School' - 'https://doi.org/10.13039/100006691' + 10.13039/100006691 ? ? ? ; _description_example.detail @@ -16587,27 +16644,24 @@ save_ save_audit_support.funding_organization_doi _definition.id '_audit_support.funding_organization_DOI' - _definition.update 2025-12-10 + _definition.update 2026-06-10 _description.text ; The Digital Object Identifier (DOI) associated with the Organization providing funding support for - the data collected and analysed in the data block. In - accordance with CrossRef guidelines, the full URI of - the resolved page describing the funding organization - should be given (i.e. including the https://doi.org/ - DOI resolver prefix). Note that it may be necessary to - URL-encode certain special characters in the DOI suffix - for the URI to resolve correctly through CrossRef - (e.g. the number sign '#' must be encoded as '%23'). + the data collected and analysed in the data block. + + The display form of the DOI may differ from the + DOI itself; see, for example, the Crossref guidelines + (https://www.crossref.org/display-guidelines/). ; _name.category_id audit_support _name.object_id funding_organization_DOI _type.purpose Encode _type.source Recorded _type.container Single - _type.contents Word - _description_example.case https://doi.org/10.13039/100000064 + _type.contents Text + _description_example.case 10.13039/100000064 save_ @@ -19419,7 +19473,8 @@ save_PUBL_AUTHOR _definition.update 2021-06-29 _description.text ; - Category of data items recording the author information. + Category of data items recording information of an author of the + publication (for example the manuscript). ; _name.category_id PUBL _name.object_id PUBL_AUTHOR @@ -19619,8 +19674,7 @@ save_publ_author.phone _definition.update 2014-06-12 _description.text ; - Telephone number of the author submitting the manuscript and - data block. + Telephone number of a manuscript author. The recommended style starts with the international dialing prefix, followed by the area code in parentheses, followed by the @@ -19795,7 +19849,12 @@ save_PUBL_CONTACT_AUTHOR _definition.update 2021-06-29 _description.text ; - Category of items describing contact author(s) details. + The category of data items used for details of the contact author(s) + of the associated manuscript, to whom general correspondence should + be addressed. + This is the person contacted by the journal editorial staff. + This may or may not be the same person as _audit_contact_author, + which is the person responsible for the dataset. ; _name.category_id PUBL _name.object_id PUBL_CONTACT_AUTHOR @@ -19815,9 +19874,9 @@ save_publ_contact_author.address _definition.update 2012-11-29 _description.text ; - The address of the author submitting the manuscript and - data block. This is the person contacted by the journal - editorial staff. + The address of the contact author of the associated manuscript to + whom general correspondence should be addressed. + This is the person contacted by the journal editorial staff. ; _name.category_id publ_contact_author _name.object_id address @@ -19890,10 +19949,15 @@ save_publ_contact_author.email _definition.update 2014-06-12 _description.text ; - E-mail address in a form recognizable to international networks. - The format of e-mail addresses is given in Section 3.4, Address - Specification, of Internet Message Format, RFC 2822, P. Resnick - (Editor), Network Standards Group, April 2001. + The electronic mail (e-mail) address of the contact author of the + associated manuscript to whom general correspondence should be + addressed. + This is the person contacted by the journal editorial staff. + The e-mail address should be given in a form recognizable to + international networks. The format of e-mail addresses is given + in Section 3.4, Address Specification, of Internet Message + Format, RFC 2822, P. Resnick (Editor), Network Standards Group, + April 2001. ; _name.category_id publ_contact_author _name.object_id email @@ -19921,8 +19985,10 @@ save_publ_contact_author.fax _definition.update 2012-11-29 _description.text ; - Facsimile telephone number of the author submitting the manuscript - and data block. + Facsimile telephone number of the contact author(s) of the contact + author of the associated manuscript to whom general correspondence + should be addressed. + This is the person contacted by the journal editorial staff. The recommended style is the international dialing prefix, followed by the area code in parentheses, followed by the local number with no spaces. The earlier convention of including the international @@ -19943,7 +20009,9 @@ save_publ_contact_author.id _definition.update 2025-07-31 _description.text ; - Arbitrary identifier for this author. + Arbitrary identifier for the contact author of the associated + manuscript to whom general correspondence should be addressed. + This is the person contacted by the journal editorial staff. ; _name.category_id publ_contact_author _name.object_id id @@ -19981,9 +20049,12 @@ save_publ_contact_author.id_iucr _definition.update 2023-02-02 _description.text ; - Identifier in the IUCr contact database of the author submitting - the manuscript and data block. This identifier may be available - from the World Directory of Crystallographers (https://wdc.iucr.org/). + Identifier in the IUCr contact database of the contact author of + the associated manuscript to whom general correspondence should be + addressed. + This is the person contacted by the journal editorial staff. + This identifier may be available from the World Directory of + Crystallographers (https://wdc.iucr.org/). ; _name.category_id publ_contact_author _name.object_id id_IUCr @@ -20001,10 +20072,12 @@ save_publ_contact_author.id_orcid _definition.update 2023-02-02 _description.text ; - Identifier in the ORCID Registry of the author submitting - the manuscript and data block. ORCID is an open, non-profit, - community-driven service to provide a registry of unique - researcher identifiers (https://orcid.org/). + Identifier in the ORCID Registry of the contact author of the + associated manuscript to whom general correspondence should be + addressed. + This is the person contacted by the journal editorial staff. + ORCID is an open, non-profit, community-driven service to provide + a registry of unique researcher identifiers (https://orcid.org/). ; _name.category_id publ_contact_author _name.object_id id_ORCID @@ -20028,9 +20101,9 @@ save_publ_contact_author.name _definition.update 2012-11-29 _description.text ; - The name of the author(s) submitting the manuscript and - data block. This is the person contacted by the journal - editorial staff. + The name of the contact author of the associated manuscript to + whom general correspondence should be addressed. + This is the person contacted by the journal editorial staff. ; _name.category_id publ_contact_author _name.object_id name @@ -20054,7 +20127,9 @@ save_publ_contact_author.phone _definition.update 2012-11-29 _description.text ; - Telephone number of author submitting the manuscript and data block. + Telephone number of the contact author of the associated + manuscript to whom general correspondence should be addressed. + This is the person contacted by the journal editorial staff. The recommended style is the international dialing prefix, followed by the area code in parentheses, followed by the local number and any extension number prefixed by 'x', with @@ -27017,10 +27092,16 @@ save_refine_ls.abs_structure_z-score determination as described by Klar et al. (2023), based on the method of Le Page et al. (1990). For centrosymmetric structures, the only permitted value, if the data item is present, is - 'inapplicable', represented by '.' . + 'inapplicable', represented by '.' . Details on how the here + reported z-score value was calculated (for example if it is + a noise-adjusted value or raw value) should be provided in + _refine_ls.abs_structure_details. + Ref: Klar, P. B. et al. (2023). Nature Chem. 15, 848-855. + https://www.doi.org/10.1038/s41557-023-01186-1 Le Page, Y., Gabe, E. J. & Gainsford, G. J. (1990). J. Appl. Cryst. 23, 406-411. + https://doi.org/10.1107/S0021889890005775 ; _name.category_id refine_ls _name.object_id abs_structure_z_score @@ -29003,7 +29084,7 @@ save_ jxh@ansto.gov.au 6 'Vaitkus, Antanas' 0000-0002-5944-1391 antanas.vaitkus@bti.vu.lt - 7 'Rowles, Matthew' . + 7 'Rowles, Matthew R.' 0000-0002-7448-6774 . 8 'Bollinger, John C.' . .