Publication Information

{'id': 'https://openalex.org/W2024175762', 'doi': 'https://doi.org/10.1107/s2053229614024929', 'title': '<i>PLATON</i>SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors', 'display_name': '<i>PLATON</i>SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors', 'publication_year': 2014, 'publication_date': '2014-12-30', 'ids': {'openalex': 'https://openalex.org/W2024175762', 'doi': 'https://doi.org/10.1107/s2053229614024929', 'mag': '2024175762', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/25567569'}, 'language': 'en', 'primary_location': {'is_oa': True, 'landing_page_url': 'https://doi.org/10.1107/s2053229614024929', 'pdf_url': 'http://journals.iucr.org/c/issues/2015/01/00/ln3172/ln3172.pdf', 'source': {'id': 'https://openalex.org/S4393918092', 'display_name': 'Acta Crystallographica Section C Structural Chemistry', 'issn_l': '2053-2296', 'issn': ['2053-2296'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': None, 'host_organization_name': None, 'host_organization_lineage': [], 'host_organization_lineage_names': [], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref', 'pubmed'], 'open_access': {'is_oa': True, 'oa_status': 'bronze', 'oa_url': 'http://journals.iucr.org/c/issues/2015/01/00/ln3172/ln3172.pdf', 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5110621593', 'display_name': 'Anthony L. Spek', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I193662353', 'display_name': 'Utrecht University', 'ror': 'https://ror.org/04pp8hn57', 'country_code': 'NL', 'type': 'education', 'lineage': ['https://openalex.org/I193662353']}], 'countries': ['NL'], 'is_corresponding': True, 'raw_author_name': 'Anthony L. Spek', 'raw_affiliation_strings': ['Crystal and Structural Chemistry, Utrecht University, Padualaan\xa08, Utrecht\xa03584CH, The Netherlands.'], 'affiliations': [{'raw_affiliation_string': 'Crystal and Structural Chemistry, Utrecht University, Padualaan\xa08, Utrecht\xa03584CH, The Netherlands.', 'institution_ids': ['https://openalex.org/I193662353']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': ['https://openalex.org/A5110621593'], 'corresponding_institution_ids': ['https://openalex.org/I193662353'], 'apc_list': None, 'apc_paid': None, 'fwci': 68.148, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 3250, 'citation_normalized_percentile': {'value': 0.999977, 'is_in_top_1_percent': True, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 99, 'max': 100}, 'biblio': {'volume': '71', 'issue': '1', 'first_page': '9', 'last_page': '18'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T11162', 'display_name': 'Enzyme Structure and Function', 'score': 0.9991, 'subfield': {'id': 'https://openalex.org/subfields/2505', 'display_name': 'Materials Chemistry'}, 'field': {'id': 'https://openalex.org/fields/25', 'display_name': 'Materials Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, 'topics': [{'id': 'https://openalex.org/T11162', 'display_name': 'Enzyme Structure and Function', 'score': 0.9991, 'subfield': {'id': 'https://openalex.org/subfields/2505', 'display_name': 'Materials Chemistry'}, 'field': {'id': 'https://openalex.org/fields/25', 'display_name': 'Materials Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T12613', 'display_name': 'X-ray Diffraction in Crystallography', 'score': 0.9967, 'subfield': {'id': 'https://openalex.org/subfields/2505', 'display_name': 'Materials Chemistry'}, 'field': {'id': 'https://openalex.org/fields/25', 'display_name': 'Materials Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T10798', 'display_name': 'Crystallography and molecular interactions', 'score': 0.9895, 'subfield': {'id': 'https://openalex.org/subfields/1606', 'display_name': 'Physical and Theoretical Chemistry'}, 'field': {'id': 'https://openalex.org/fields/16', 'display_name': 'Chemistry'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/least-squares-function-approximation', 'display_name': 'Least-squares function approximation', 'score': 0.45571044}], 'concepts': [{'id': 'https://openalex.org/C2780471494', 'wikidata': 'https://www.wikidata.org/wiki/Q146505', 'display_name': 'Solvent', 'level': 2, 'score': 0.6100361}, {'id': 'https://openalex.org/C115624301', 'wikidata': 'https://www.wikidata.org/wiki/Q895901', 'display_name': 'Crystal structure', 'level': 2, 'score': 0.6047012}, {'id': 'https://openalex.org/C125485243', 'wikidata': 'https://www.wikidata.org/wiki/Q905186', 'display_name': 'Electron density', 'level': 3, 'score': 0.45960593}, {'id': 'https://openalex.org/C9936470', 'wikidata': 'https://www.wikidata.org/wiki/Q6510405', 'display_name': 'Least-squares function approximation', 'level': 3, 'score': 0.45571044}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.4306879}, {'id': 'https://openalex.org/C121864883', 'wikidata': 'https://www.wikidata.org/wiki/Q677916', 'display_name': 'Statistical physics', 'level': 1, 'score': 0.36811042}, {'id': 'https://openalex.org/C147120987', 'wikidata': 'https://www.wikidata.org/wiki/Q2225', 'display_name': 'Electron', 'level': 2, 'score': 0.3564668}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.34999928}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.33109692}, {'id': 'https://openalex.org/C8010536', 'wikidata': 'https://www.wikidata.org/wiki/Q160398', 'display_name': 'Crystallography', 'level': 1, 'score': 0.31454754}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.30564898}, {'id': 'https://openalex.org/C33923547', 'wikidata': 'https://www.wikidata.org/wiki/Q395', 'display_name': 'Mathematics', 'level': 0, 'score': 0.29563904}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.16484362}, {'id': 'https://openalex.org/C105795698', 'wikidata': 'https://www.wikidata.org/wiki/Q12483', 'display_name': 'Statistics', 'level': 1, 'score': 0.15184474}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.08480057}, {'id': 'https://openalex.org/C185429906', 'wikidata': 'https://www.wikidata.org/wiki/Q1130160', 'display_name': 'Estimator', 'level': 2, 'score': 0.0}], 'mesh': [], 'locations_count': 2, 'locations': [{'is_oa': True, 'landing_page_url': 'https://doi.org/10.1107/s2053229614024929', 'pdf_url': 'http://journals.iucr.org/c/issues/2015/01/00/ln3172/ln3172.pdf', 'source': {'id': 'https://openalex.org/S4393918092', 'display_name': 'Acta Crystallographica Section C Structural Chemistry', 'issn_l': '2053-2296', 'issn': ['2053-2296'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': None, 'host_organization_name': None, 'host_organization_lineage': [], 'host_organization_lineage_names': [], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/25567569', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306525036', 'display_name': 'PubMed', 'issn_l': None, 'issn': None, 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I1299303238', 'host_organization_name': 'National Institutes of Health', 'host_organization_lineage': ['https://openalex.org/I1299303238'], 'host_organization_lineage_names': ['National Institutes of Health'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': {'is_oa': True, 'landing_page_url': 'https://doi.org/10.1107/s2053229614024929', 'pdf_url': 'http://journals.iucr.org/c/issues/2015/01/00/ln3172/ln3172.pdf', 'source': {'id': 'https://openalex.org/S4393918092', 'display_name': 'Acta Crystallographica Section C Structural Chemistry', 'issn_l': '2053-2296', 'issn': ['2053-2296'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': None, 'host_organization_name': None, 'host_organization_lineage': [], 'host_organization_lineage_names': [], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 20, 'referenced_works': ['https://openalex.org/W1969360633', 'https://openalex.org/W1986134991', 'https://openalex.org/W2009046603', 'https://openalex.org/W2032842297', 'https://openalex.org/W2051339183', 'https://openalex.org/W2059205366', 'https://openalex.org/W2067945632', 'https://openalex.org/W207234985', 'https://openalex.org/W2078399627', 'https://openalex.org/W2113593205', 'https://openalex.org/W2128179591', 'https://openalex.org/W2131350133', 'https://openalex.org/W2143803583', 'https://openalex.org/W2145538332', 'https://openalex.org/W2151190921', 'https://openalex.org/W2156779445', 'https://openalex.org/W2166689829', 'https://openalex.org/W2327828477', 'https://openalex.org/W2950387793', 'https://openalex.org/W4251010492'], 'related_works': ['https://openalex.org/W2151479006', 'https://openalex.org/W2113502557', 'https://openalex.org/W2088012968', 'https://openalex.org/W2073958536', 'https://openalex.org/W2069069917', 'https://openalex.org/W2053541600', 'https://openalex.org/W2032042553', 'https://openalex.org/W2019460479', 'https://openalex.org/W1999168297', 'https://openalex.org/W1971934016'], 'abstract_inverted_index': {'The': [0, 141, 171, 182, 292, 313], 'completion': [1], 'of': [2, 13, 34, 99, 112, 156, 165, 185, 193, 201, 224, 294, 316, 330, 338], 'a': [3, 35, 68, 166, 207, 295, 349], 'crystal': [4, 36], 'structure': [5, 28, 37, 82, 139, 151, 174], 'determination': [6], 'is': [7, 51, 56, 176, 234, 276, 320], 'often': [8], 'hampered': [9], 'by': [10, 153, 290], 'the': [11, 26, 31, 81, 92, 101, 109, 113, 124, 137, 146, 150, 157, 162, 194, 198, 202, 213, 222, 230, 240, 245, 255, 263, 273, 303, 309, 317, 335], 'presence': [12], 'embedded': [14], 'solvent': [15, 48, 102, 147, 241, 264], 'molecules': [16], 'or': [17], 'ions': [18], 'that': [19, 130, 205, 259], 'are': [20, 83, 286, 298, 332], 'seriously': [21], 'disordered.': [22], 'Their': [23], 'contribution': [24, 148, 242, 265], 'to': [25, 39, 58, 67, 136, 149, 229, 238, 248, 251], 'calculated': [27, 138], 'factors': [29, 152], 'in': [30, 42, 76, 80, 161, 302], 'least-squares': [32, 114, 173, 210, 256], 'refinement': [33, 115, 128, 175, 211], 'has': [38], 'be': [40, 59, 74, 249], 'included': [41, 301], 'some': [43], 'way.': [44], 'Traditionally,': [45], 'an': [46, 54, 96, 267], 'atomistic': [47], 'disorder': [49, 103], 'model': [50], 'attempted.': [52], 'Such': [53], 'approach': [55], 'generally': [57], 'preferred,': [60], 'but': [61], 'it': [62], 'does': [63], 'not': [64, 219], 'always': [65], 'lead': [66], 'satisfactory': [69], 'result': [70], 'and': [71, 126, 188, 322, 324, 341], 'may': [72], 'even': [73], 'impossible': [75], 'cases': [77], 'where': [78], 'channels': [79], 'filled': [84], 'with': [85, 108, 197, 212, 308, 326], 'continuous': [86], 'electron': [87, 158], 'density.': [88], 'This': [89], 'paper': [90], 'documents': [91], 'SQUEEZE': [93, 143, 187, 203, 296, 318], 'method': [94], 'as': [95], 'alternative': [97], 'means': [98], 'addressing': [100], 'issue.': [104], 'It': [105, 233], 'conveniently': [106], 'interfaces': [107], '2014': [110], 'version': [111], 'program': [116, 217, 260], 'SHELXL': [117, 189, 253], '[Sheldrick': [118], '(2015).': [119], 'Acta': [120], 'Cryst.': [121], 'C71.': [122], 'In': [123, 278], 'press]': [125], 'other': [127], 'programs': [129], 'accept': [131], 'externally': [132, 226], 'provided': [133, 227], 'fixed': [134, 225], 'contributions': [135, 228], 'factors.': [140], 'PLATON': [142, 186], 'tool': [144], 'calculates': [145], 'back-Fourier': [154], 'transformation': [155], 'density': [159], 'found': [160], 'solvent-accessible': [163], 'region': [164], 'phase-optimized': [167], 'difference': [168], 'electron-density': [169], 'map.': [170], 'actual': [172], 'delegated': [177], 'to,': [178], 'for': [179, 221, 254, 348], 'example,': [180], 'SHELXL.': [181], 'current': [183, 314], 'versions': [184], 'now': [190, 214, 261, 287, 299], 'address': [191], 'several': [192], 'unnecessary': [195], 'complications': [196], 'earlier': [199], 'implementation': [200, 315], 'procedure': [204, 319], 'were': [206], 'necessity': [208], 'because': [209], 'superseded': [215], 'SHELXL97': [216], 'did': [218], 'allow': [220], 'input': [223], 'structure-factor': [231], 'calculation.': [232], 'no': [235], 'longer': [236], 'necessary': [237], 'subtract': [239], 'temporarily': [243], 'from': [244, 266], 'observed': [246], 'intensities': [247], 'able': [250], 'use': [252], 'refinement,': [257], 'since': [258], 'accepts': [262], 'external': [268], 'file': [269], '(.fab': [270], 'file)': [271], 'if': [272], 'ABIN': [274], 'instruction': [275], 'used.': [277], 'addition,': [279], 'many': [280], 'twinned': [281], 'structures': [282, 340], 'containing': [283], 'disordered': [284], 'solvents': [285], 'also': [288], 'treatable': [289], 'SQUEEZE.': [291], 'details': [293], 'calculation': [297], 'automatically': [300], 'CIF': [304], 'archive': [305], 'file,': [306], 'along': [307], 'unmerged': [310], 'reflection': [311, 336, 345], 'data.': [312], 'described,': [321], 'discussed': [323], 'illustrated': [325], 'three': [327], 'examples.': [328], 'Two': [329], 'them': [331], 'based': [333], 'on': [334, 343], 'data': [337, 346], 'published': [339, 350], 'one': [342], 'synthetic': [344], 'generated': [347], 'structure.': [351]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2024175762', 'counts_by_year': [{'year': 2024, 'cited_by_count': 341}, {'year': 2023, 'cited_by_count': 358}, {'year': 2022, 'cited_by_count': 397}, {'year': 2021, 'cited_by_count': 419}, {'year': 2020, 'cited_by_count': 456}, {'year': 2019, 'cited_by_count': 388}, {'year': 2018, 'cited_by_count': 349}, {'year': 2017, 'cited_by_count': 267}, {'year': 2016, 'cited_by_count': 175}, {'year': 2015, 'cited_by_count': 93}, {'year': 2014, 'cited_by_count': 3}], 'updated_date': '2025-01-07T12:46:19.434079', 'created_date': '2016-06-24'}