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Sayre equation

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22: 259: 299:. Since weak diffracted beams will contribute a little to the sum, this method can be a powerful way of finding the phase of related beams, if some of the initial phases are already known by other methods. 392: 454: 297: 434: 324: 414: 111: 51: 331: 267:
for a beam can be calculated as the sum of the products of pairs of structure factors whose indices sum to the desired values of
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who introduced it in 1952, is a mathematical relationship that allows one to calculate probable values for the
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indicates the sign of the structure factor (positive if the phase is 0 and negative if it is
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that the relationship is true, which becomes higher the stronger the beams are.
521: 497: 478: 545: 99: 457: 95: 254:{\displaystyle F_{hkl}=\sum _{h'k'l'}F_{h'k'l'}F_{h-h',k-k',l-l'}} 326:
and the Sayre equation reduces to the triplet relationship:
479:"The squaring method: A new method for phase determination" 106:
to solve a structure. Its formulation is the following:
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of some diffracted beams. It is used when employing
448: 428: 408: 386: 318: 291: 253: 456:sign indicates that there is a certain degree of 302:In particular, for three such related beams in a 543: 43:but its sources remain unclear because it lacks 387:{\displaystyle S_{h}\approx S_{h'}S_{h-h'}} 496: 74:Learn how and when to remove this message 306:structure, the phases can only be 0 or 544: 511: 505: 476: 470: 15: 13: 14: 563: 20: 514:Crystal Structure Determination 1: 463: 7: 10: 568: 522:10.1007/978-3-662-06431-3 516:. Springer. p. 102. 498:10.1107/S0365110X52000137 449:{\displaystyle \approx } 29:This article includes a 58:more precise citations. 512:Werner, Massa (2004). 484:Acta Crystallographica 450: 430: 410: 388: 320: 293: 255: 451: 431: 411: 389: 321: 294: 292:{\displaystyle h,k,l} 263:which states how the 256: 440: 429:{\displaystyle \pi } 420: 400: 332: 319:{\displaystyle \pi } 310: 271: 112: 477:Sayre, D. (1952). 446: 426: 406: 384: 316: 289: 251: 164: 31:list of references 409:{\displaystyle S} 134: 84: 83: 76: 559: 536: 535: 509: 503: 502: 500: 474: 455: 453: 452: 447: 435: 433: 432: 427: 415: 413: 412: 407: 393: 391: 390: 385: 383: 382: 381: 362: 361: 360: 344: 343: 325: 323: 322: 317: 298: 296: 295: 290: 265:structure factor 260: 258: 257: 252: 250: 249: 248: 231: 214: 195: 194: 193: 185: 177: 163: 162: 154: 146: 130: 129: 79: 72: 68: 65: 59: 54:this article by 45:inline citations 24: 23: 16: 567: 566: 562: 561: 560: 558: 557: 556: 552:Crystallography 542: 541: 540: 539: 532: 510: 506: 475: 471: 466: 441: 438: 437: 421: 418: 417: 401: 398: 397: 374: 367: 363: 353: 352: 348: 339: 335: 333: 330: 329: 311: 308: 307: 304:centrosymmetric 272: 269: 268: 241: 224: 207: 200: 196: 186: 178: 170: 169: 165: 155: 147: 139: 138: 119: 115: 113: 110: 109: 88:crystallography 80: 69: 63: 60: 49: 35:related reading 25: 21: 12: 11: 5: 565: 555: 554: 538: 537: 530: 504: 468: 467: 465: 462: 445: 425: 405: 380: 377: 373: 370: 366: 359: 356: 351: 347: 342: 338: 315: 288: 285: 282: 279: 276: 247: 244: 240: 237: 234: 230: 227: 223: 220: 217: 213: 210: 206: 203: 199: 192: 189: 184: 181: 176: 173: 168: 161: 158: 153: 150: 145: 142: 137: 133: 128: 125: 122: 118: 104:direct methods 94:, named after 92:Sayre equation 82: 81: 39:external links 28: 26: 19: 9: 6: 4: 3: 2: 564: 553: 550: 549: 547: 533: 527: 523: 519: 515: 508: 499: 494: 490: 486: 485: 480: 473: 469: 461: 459: 443: 423: 403: 394: 378: 375: 371: 368: 364: 357: 354: 349: 345: 340: 336: 327: 313: 305: 300: 286: 283: 280: 277: 274: 266: 261: 245: 242: 238: 235: 232: 228: 225: 221: 218: 215: 211: 208: 204: 201: 197: 190: 187: 182: 179: 174: 171: 166: 159: 156: 151: 148: 143: 140: 135: 131: 126: 123: 120: 116: 107: 105: 101: 97: 93: 89: 78: 75: 67: 64:November 2019 57: 53: 47: 46: 40: 36: 32: 27: 18: 17: 513: 507: 488: 482: 472: 395: 328: 301: 262: 108: 91: 85: 70: 61: 50:Please help 42: 458:probability 96:David Sayre 56:introducing 531:3540206442 464:References 436:) and the 396:where the 491:: 60–65. 444:≈ 424:π 372:− 346:≈ 314:π 239:− 222:− 205:− 136:∑ 546:Category 379:′ 358:′ 246:′ 229:′ 212:′ 191:′ 183:′ 175:′ 160:′ 152:′ 144:′ 52:improve 528:  100:phases 90:, the 37:, or 526:ISBN 518:doi 493:doi 86:In 548:: 524:. 487:. 481:. 41:, 33:, 534:. 520:: 501:. 495:: 489:5 404:S 376:h 369:h 365:S 355:h 350:S 341:h 337:S 287:l 284:, 281:k 278:, 275:h 243:l 236:l 233:, 226:k 219:k 216:, 209:h 202:h 198:F 188:l 180:k 172:h 167:F 157:l 149:k 141:h 132:= 127:l 124:k 121:h 117:F 77:) 71:( 66:) 62:( 48:.

Index

list of references
related reading
external links
inline citations
improve
introducing
Learn how and when to remove this message
crystallography
David Sayre
phases
direct methods
structure factor
centrosymmetric
probability
"The squaring method: A new method for phase determination"
Acta Crystallographica
doi
10.1107/S0365110X52000137
doi
10.1007/978-3-662-06431-3
ISBN
3540206442
Category
Crystallography

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