DIALS: Implementation and evaluation of a new integration package

Acta Crystallographica Section D: Structural Biology

Volumn 74, Issue , 2018, Pages 85-97

  Winter, Graeme ^a   Waterman, David G ^c   Parkhurst, James M ^a,d   Brewster, Aaron S ^b   Gildea, Richard J ^a   Gerstel, Markus ^a   Fuentes Montero, Luis ^a   Vollmar, Melanie ^a   Michels Clark, Tara ^b   Young, Iris D ^b   Sauter, Nicholas K ^b   Evans, Gwyndaf ^a  

^a DIAMOND LIGHT SOURCE LTD   (United Kingdom)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^d MRC LABORATORY OF MOLECULAR BIOLOGY   (United Kingdom)

Author keywords

data processing; DIALS; methods development; X ray diffraction

Indexed keywords

BACTERIAL PROTEIN; REPRESSOR PROTEIN; THERMOLYSIN;

ALGORITHM; CHEMISTRY; COMPUTER ASSISTED DIAGNOSIS; INFORMATION PROCESSING; PROCEDURES; SOFTWARE; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; BACTERIAL PROTEINS; CRYSTALLOGRAPHY, X-RAY; ELECTRONIC DATA PROCESSING; RADIOGRAPHIC IMAGE INTERPRETATION, COMPUTER-ASSISTED; REPRESSOR PROTEINS; SOFTWARE; THERMOLYSIN;

EID: 85041598524     PISSN: None     EISSN: 20597983     Source Type: Journal    
DOI: 10.1107/S2059798317017235     Document Type: Article

References (63)

1. Abrahams, D. & Grosse-Kunstleve, R. W. (2003). C/C++ Users J. 21, 29-36.
2. Adams, P. D. et al. (2010). Acta Cryst. D66, 213-221.
3. Brewster, A. S., Waterman, D. G., Parkhurst, J. M., Gildea, R. J., Michels-Clark, T., Young, I. D., Bernstein, H. J., Winter, G., Evans, G. & Sauter, N. K. (2016). Comput. Crystallogr. Newsl. 7, 32-53. https://www.phenix-online.org/newsletter/CCN-2016-07.pdf.
4. Bricogne, G. (1986a). Proceedings of the EEC Cooperative Workshop on Position-Sensitive Detector Software (Phases I and II). Paris: LURE.
5. Bricogne, G. (1986b). Proceedings of the EEC Cooperative Workshop on Position-Sensitive Detector Software (Phase III). Paris: LURE.
6. Busing, W. R. & Levy, H. A. (1967). Acta Cryst. 22, 457-464.
7. Campbell, J. W. (1998). J. Appl. Cryst. 31, 407-413.
8. Casanas, A., Warshamanage, R., Finke, A. D., Panepucci, E., Olieric, V., Nöll, A., Tampé, R., Brandstetter, S., Förster, A., Mueller, M., Schulze-Briese, C., Bunk, O. & Wang, M. (2016). Acta Cryst. D72, 1036-1048.
9. Cowtan, K. (2006). Acta Cryst. D62, 1002-1011.
10. Diamond, R. (1969). Acta Cryst. A25, 43-55.
11. Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.
12. Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs, A.M.M. (2003). J. Appl. Cryst. 36, 220-229.
13. Emma, P., et al. (2010). Nature Photonics, 4, 641-647.
14. English, A. C., Done, S. H., Caves, L. S., Groom, C. R. & Hubbard, R. E. (1999). Proteins, 37, 628-640.
15. Evans, P. (2006). Acta Cryst. D62, 72-82.
16. Evans, P. R. & Murshudov, G. N. (2013). Acta Cryst. D69, 1204-1214.
17. Frome, E. L. (1982). J. R. Stat. Soc. Ser. C Appl. Stat. 31, 67-71.
18. Fuller, F. D. et al. (2017). Nature Methods, 14, 443-449.
19. Gati, C., Bourenkov, G., Klinge, M., Rehders, D., Stellato, F., Oberthür, D., Yefanov, O., Sommer, B. P., Mogk, S., Duszenko, M., Betzel, C., Schneider, T. R., Chapman, H. N. & Redecke, L. (2014). IUCrJ, 1, 87-94.
20. Gildea, R. J., Waterman, D. G., Parkhurst, J. M., Axford, D., Sutton, G., Stuart, D. I., Sauter, N. K., Evans, G. & Winter, G. (2014). Acta Cryst. D70, 2652-2666.
21. Grosse-Kunstleve, R. W., Sauter, N. K. & Adams, P. D. (2004). Acta Cryst. A60, 1-6.
22. Grosse-Kunstleve, R. W., Sauter, N. K., Moriarty, N. W. & Adams, P. D. (2002). J. Appl. Cryst. 35, 126-136.
23. Hart, P. et al. (2012). 2012 IEEE Nuclear Science Symposium and Medical Imaging Conference Record (NSS/MIC), pp. 538-541. Anaheim, CA, USA.
24. Henrich, B., Bergamaschi, A., Broennimann, C., Dinapoli, R., Eikenberry, E. F., Johnson, I., Kobas, M., Kraft, P., Mozzanica, A. & Schmitt, B. (2009). Nucl. Instrum. Methods Phys. Res. A, 607, 247-249.
25. Herrmann, S., Hart, P., Dragone, A., Freytag, D., Herbst, R., Pines, J., Weaver, M., Carini, G. A., Thayer, J. B., Shawn, O., Kenney, C. J. & Haller, G. (2014). J. Phys. Conf. Ser. 493, 012013.
26. Hülsen, G., Brönnimann, C. & Eikenberry, E. F. (2005). Nucl. Instrum. Methods Phys. Res. A, 548, 540-554.
27. Ishikawa, T. et al. (2012). Nature Photonics, 6, 540-544.
28. Kabsch, W. (1988a). J. Appl. Cryst. 21, 67-72.
29. Kabsch, W. (1988b). J. Appl. Cryst. 21, 916-924.
30. Kabsch, W. (2010a). Acta Cryst. D66, 133-144.
31. Kabsch, W. (2010b). Acta Cryst. D66, 125-132.
32. Karplus, P. A. & Diederichs, K. (2012). Science, 336, 1030-1033.
33. Leslie, A. G. W. (1999). Acta Cryst. D55, 1696-1702.
34. Leslie, A. G. W. (2006). Acta Cryst. D62, 48-57.
35. Lyubimov, A. Y., Uervirojnangkoorn, M., Zeldin, O. B., Zhou, Q., Zhao, M., Brewster, A. S., Michels-Clark, T., Holton, J. M., Sauter, N. K., Weis, W. I. & Brunger, A. T. (2016). Elife, 5, e18740.
36. McCoy, A. J., Grosse-Kunstleve, R. W., Adams, P. D., Winn, M. D., Storoni, L. C. & Read, R. J. (2007). J. Appl. Cryst. 40, 658-674.
37. Miras, I., Saul, F., Nowakowski, M.,Weber, P., Haouz, A., Shepard,W. & Picardeau, M. (2015). Acta Cryst. D71, 1351-1359.
38. Otwinowski, Z. & Minor, W. (1997). Methods Enzymol. 276, 307-326.
39. Otwinowski, Z., Minor, W., Borek, D. & Cymborowski, M. (2012). International Tables for Crystallography, Vol. F, edited by E. Arnold, D. M. Himmel & M. G. Rossmann, pp. 282-295. Chester: International Union of Crystallography.
40. Parkhurst, J. M., Brewster, A. S., Fuentes-Montero, L., Waterman, D. G., Hattne, J., Ashton, A. W., Echols, N., Evans, G., Sauter, N. K. & Winter, G. (2014). J. Appl. Cryst. 47, 1459-1465.
41. Parkhurst, J. M., Winter, G., Waterman, D. G., Fuentes-Montero, L., Gildea, R. J., Murshudov, G. N. & Evans, G. (2016). J. Appl. Cryst. 49, 1912-1921.
42. Pflugrath, J. W. (1999). Acta Cryst. D55, 1718-1725.
43. Rossmann, M. G., Leslie, A. G. W., Abdel-Meguid, S. S. & Tsukihara, T. (1979). J. Appl. Cryst. 12, 570-581.
44. Russi, S., Song, J., McPhillips, S. E. & Cohen, A. E. (2016). J. Appl. Cryst. 49, 622-626.
45. Sauter, N. K., Grosse-Kunstleve, R.W. & Adams, P. D. (2004). J. Appl. Cryst. 37, 399-409.
46. Sauter, N. K., Grosse-Kunstleve, R.W. & Adams, P. D. (2006). J. Appl. Cryst. 39, 158-168.
47. Sauter, N. K., Hattne, J., Grosse-Kunstleve, R.W. & Echols, N. (2013). Acta Cryst. D69, 1274-1282.
48. Schreurs, A. M. M., Xian, X. & Kroon-Batenburg, L. M. J. (2010). J. Appl. Cryst. 43, 70-82.
49. Sheldrick, G. M. (2010). Acta Cryst. D66, 479-485.
50. Sheldrick, G. M. (2015). Acta Cryst. A71, 3-8.
51. Sierra, R. G. et al. (2016). Nature Methods, 13, 59-62.
52. Stellato, F. et al. (2014). IUCrJ, 1, 204-212.
53. Steller, I., Bolotovsky, R. & Rossmann, M. G. (1997). J. Appl. Cryst. 30, 1036-1040.
54. Sutherland, I. E. & Hodgman, G. W. (1974). Commun. ACM, 17, 32-42.
55. Vonrhein, C., Flensburg, C., Keller, P., Sharff, A., Smart, O., Paciorek, W., Womack, T. & Bricogne, G. (2011). Acta Cryst. D67, 293-302.
56. Wagner, A., Duman, R., Henderson, K. &Mykhaylyk, V. (2016). Acta Cryst. D72, 430-439.
57. Waterman, D. G.,Winter, G., Gildea, R. J., Parkhurst, J. M., Brewster, A. S., Sauter, N. K. & Evans, G. (2016). Acta Cryst. D72, 558-575.
58. White, T. A., Mariani, V., Brehm, W., Yefanov, O., Barty, A., Beyerlein, K. R., Chervinskii, F., Galli, L., Gati, C., Nakane, T., Tolstikova, A., Yamashita, K., Yoon, C. H., Diederichs, K. & Chapman, H. N. (2016). J. Appl. Cryst. 49, 680-689.
59. Winkler, F. K., Schutt, C. E. & Harrison, S. C. (1979). Acta Cryst. A35, 901-911.
60. Winn, M. D. et al. (2011). Acta Cryst. D67, 235-242.
61. Winter, G. (2010). J. Appl. Cryst. 43, 186-190.
62. Winter, G. & McAuley, K. E. (2011). Methods, 55, 81-93.
63. Young, I. D. et al. (2016). Nature (London), 540, 453-457.