Indiana University Bloomington
IUMSC   Indiana University Molecular Structure Center

Sample submission and tracking

Please use our PXRD Sample Sumbission Form and our SCXRD Sample Submission Form for expermients that are to be conducted at the MSC as well as for experiments to be performed at the APS through the SCrAPS project. If you are an independent user of the facility then no submission form is needed for PXRD.

Sample and data retrieval, data storage

Please pick up your sample as soon as possible after completion of the experiment.

The MSC stores all single crystal structure analysis results in its Reciprocal Net database, which tracks workflow and additionally provides a searchable database for provider and crystallographic data (unit cell, space group, etc), as well as access to files associated with the sample (CIF, PDB etc.). If 3D coordinates were obtained, a java applet allows for interactive viewing of the structure. Access to sample data is by PI group and the results are only made available to the public after publication or upon request by the provider PI. Trained users (see below), who conduct independent single crystal diffraction experiments are required to submit a minimum set of files (for a full crystal structure determination: HKL, RES or DSC, CIF, P4P, PCF, report as PDF or word-processing file; for a unit cell determination: P4P) or to the lab director for storage on the Reciprocal Net database.

Acknowledgements and co-authorship

MSC staff collaborates with researchers to conduct crystallographic experiments and elucidate solid state structures. If a manuscript or scientific presentation includes intellectual work by the MSC collaborator, for example, for a single crystal structure, if geometrical parameters are discussed and an ellipsoid plot is shown, then co-authorship is requested and the collaborator should be involved in the manuscript preparation. In all other cases please acknowledge the MSC staff member(s) and the funding for the respective instruments.

For the Empyrean multipurpose diffractometer from PANalytical, please acknowledge funding obtained by the National Science Foundation, under grant number NSF/CHE-1048613.

For the Venture D8 diffractometer from Bruker, please include the following acknowledgement: "Support for the acquisition of the Bruker Venture D8 diffractometer through the Major Scientific Research Equipment Fund from the President of Indiana University and the Office of the Vice President for Research is gratefully acknowledged."

In case of publication of the results obtained with the SCrAPS program please include the following paragraph in your acknowledgments:

"NSF's ChemMatCARS Sector 15 is principally supported by the Divisions of Chemistry (CHE) and Materials Research (DMR), National Science Foundation, under grant number NSF/CHE-1834750. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357."

Access to the computer area and the laboratory

Computer area. The MSC maintains a computer laboratory that can be reserved for classes. The computers are equipped with a full complement of crystallographic software and databases and are open to walk-in IU staff and students. MSC personnel can assist with crystallographic software and databases. Technical problems with the computers should be reported to Maren Pink. For class room reservation please check our calendar or contact Maren Pink.

Laboratory. Trained users are students or postdoctoral researchers who (1a) have attended and passed C631 or (1b) are approved by MSC staff, (2) have undergone instrument-specific and safety training, and (3) have passed the IU mandated radiation safety exam and MSCís laboratory exam. Arrangements for instrument-specific user training can be made with the MSC director. Trained users may check out a key to the laboratory area and conduct experiments without MSC personnel supervision. For experiments performed afterhours, at least two trained and approved users must be present when operating the diffractometers and the doors to the laboratory must remain locked. If you locked yourself out, please call the MSC director. In an emergency, call 911 and then inform the laboratory director.

Indiana University
Indiana University Molecular Structure Center. Chemistry, A421, Indiana University, 800 E, Kirkwood Ave., Bloomington, IN 47405-7102, 812.855.6821
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