Crystallographic Information Fiesta

In collaboration with the IUCr Committee on the Maintenance of the CIF Standard (COMCIFS) and Committee on Data (CommDat), the Associazione Italiana Cristallografia held in autumn 2019 the first CIFiesta, an intensive course in Crystallographic Information, covering the extraction, dissemination and use of scientific knowledge from the structure determination experiment to database-driven discovery. Photographs of the event are in the IUCr photo gallery and course materials and schedule may be found on this page. An account of the school appears in the IUCr Newsletter, Vol. 27, No.4.

Day 1: Thursday 29 August
17.00-17.30	AICS2019 Opening Ceremony
17.30-18.00	Opening Lecture: CODATA, FAIR and Open Science Simon Hodson
18.00-18.40	Opening Lecture: The science is in the data Loes Kroon-Batenburg
18.40-18:50	Video Message: Quality structural data in modern scientific culture John R. Helliwellpresentation |video transcript |video link
18:50-19.30	Opening Lecture: The devil is in the detail: sharing data Brian McMahonannotated presentation

Day 2: Friday 30 August
09.00-09.30	LAAAMP Colloquium: Introduction Michele Zemapresentation
09.30-10.30	LAAAMP Colloquium: Data collection: purpose, plan, design James Hesterpresentation
10.30-11.00	Coffee break
	Session Chair: Luigi Vitagliano
11.00-12.00	Lecture: Data evaluation and interpretation (I) Loes Kroon-Batenburgpresentation
12.00-13.00	Lecture: Data evaluation and interpretation (II) Loes Kroon-Batenburgpresentation
13.00-14.00	Lunch break
	Session Chair: Serena C. Tarantino
14.00-16.10	Lecture: Space-group symmetry - Understanding International Tables for Crystallography, Volume A Mois I. Aroyopresentation
16.10-16.30	Coffee break
16.30-18.30	Tutorial: Crystallography Online by the Bilbao Crystallographic Server Mois I. Aroyopresentation (part 1) | presentation (part 2)
16.30-18.30	Tutorial: Introduction to the ICSD Paolo Lotti

Day 3: Saturday 31 August
	Session Chair: Larry Falvello
09.00-09.50	Lecture: The CIF dictionaries: how they work James Hesterpresentation
09.50-10.40	Lecture: The core CIF dictionary and the mmCIF dictionary Brian McMahonannotated presentation
10.40-11.00	Coffee break
11.00-13.00	Tutorial (S): From raw data to CIF: retrieving missing information Horst Puschmann, Larry Falvello, Chiara Massera, Serena Tarantino, Michele Zema	Tutorial (M): From raw data to CIF Loes Kroon-Batenburg, Luigi Vitagliano, Rita Berisio, Luciana Esposito
13.00-14.00	Lunch break
14.00-16.10	Tutorial (S): From raw data to CIF: refinement Horst Puschmann, Larry Falvello, Chiara Massera, Serena Tarantino, Michele Zema	Tutorial (M): From raw data to CIF Loes Kroon-Batenburg, Luigi Vitagliano, Rita Berisio, Luciana Esposito
16.10-16.30	Coffee break
16.30-18.30	Tutorial (S): Understanding and responding to checkCIF reports Horst Puschmann, Larry Falvello, Chiara Massera, Serena Tarantino, Michele Zema	Tutorial (M): From raw data to CIF Loes Kroon-Batenburg, Luigi Vitagliano, Rita Berisio, Luciana Esposito

Day 4: Sunday 1 September
	Session Chair: Brian McMahon	Session Chair: John Berrisford
09.00-09.50	Lecture (S): Validation: understanding checkCIF for small molecules Larry Falvellopresentation	Lecture (M): Protein structure validation and quality assessment Luigi Vitaglianopresentation
09.50-10.40	Lecture (S): Publication: preparing small-molecule structure reports for IUCr journals Chiara Masserapresentation	Lecture (M): Protein structure: instructions for use Luciana Espositopresentation
10.40-11.00	Coffee break
11.00-13.00	Tutorial (S): Publishing small-molecule structure reports Chiara Massera, Larry Falvello	Tutorial (M): Validation and publication of macromolecular structure reports Many tutors

Day 5: Monday 2 September
	Session Chair: Horst Puschmann	Session Chair: Loes Kroon-Batenburg
09.00-09.50	Lecture (S): Other extension dictionaries James Hesterpresentation	Lecture (M): PDBx and related dictionaries John Berrisfordpresentation
09.50-10.40	Lecture (S): Magnetic structures and magnetic extension dictionary Mois I. Aroyo	Lecture (M): Publishing biomacromolecule structures: requirements and opportunities (I) Rita Berisiopresentation
10.40-11.00	Coffee break
11.00-12.00	Lecture (S): Other tools for submitting and using structure reports Brian McMahonannotated presentation	Lecture (M): Publishing biomacromolecule structures: requirements and opportunities (II) Rita Berisio
	Session Chair: Horst Puschmann
12.00-13.00	Presentations by students and discussion about the results of the tutorials
13.00-14.00	Lunch break
14.00-16.10	Three parallel tutorials
	Cambridge Structural Database Suzanna Ward, Eric Rogers presentation (part 1) presentation (part 2) presentation (part 3) Protein Data Bank John Berrisford presentation Powder Diffraction File Tom Blanton
16.10-16.30	Coffee break
16.30-18.30	Three parallel tutorials
	Cambridge Structural Database Suzanna Ward, Eric Rogers presentation (part 4) presentation (part 5) Protein Data Bank John Berrisford Powder Diffraction File Tom Blanton

Day 6: Tuesday 3 September
09.00-09.50	Lecture: Database-driven discovery with the Cambridge Structural Database Suzanna Ward Chair: Chiara Masserapresentation
09.50-10.40	Lecture: Database-driven discovery with the Protein Data Bank John Berrisford Chair: Rita Berisiopresentation
10.40-11.00	Coffee break
11.00-11.50	Lecture: Database-driven discovery with the Powder Diffraction File Tom Blanton Chair: Paolo Lotti
11.50-12.40	Lecture: Challenges still to be met (with round-table and general discussion) Horst Puschmann
12.40-13.00	AICS2019 Presentation of Awards and Closing Ceremony