CYCLOPS Check List ------------------ Dictionary data names = 2317 New data names in text = 4 [1] Dictionary cif_core.dic 2.1beta5 data names = 697 [2] Dictionary cif_mm.dic 1.0.00 data names = 1620 Data names NOT in Dictionary Line Numbers _blat1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19 21 116 118 199 201 320 326 332 338 344 _blat2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23 25 120 122 203 205 317 323 329 335 341 _dummy_test . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 17 112 114 195 197 231 _rubish_here . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 461 [1] Dictionary cif_core.dic 2.1beta5 [2] Dictionary cif_mm.dic 1.0.00 Line Numbers [2] _atom_site.calc_attached_atom . . . . . . . . . . . . . . . . . . . . . . 443 [1] = _atom_site_calc_attached_atom 442 [2] _atom_site.calc_flag . . . . . . . . . . . . . . . . . . . . . . . . . . . 440 [1] = _atom_site_calc_flag 439 [2] _atom_site.fract_x . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60 66 72 420 [1] = _atom_site_fract_x 419 [2] _atom_site.fract_y . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61 67 73 424 [1] = _atom_site_fract_y 423 [2] _atom_site.fract_z . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62 68 74 428 [1] = _atom_site_fract_z 427 [2] _atom_site.id . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59 65 71 416 [1] = _atom_site_label 415 [2] _atom_site.thermal_displace_type . . . . . . . . . . . . . . . . . . . . . 436 [1] = _atom_site_thermal_displace_type 435 [2] _atom_site.type_symbol . . . . . . . . . . . . . . . . . . . . . . . . . . 446 450 454 458 464 468 472 480 484 488 492 [1] = _atom_site_type_symbol 445 449 453 457 463 467 471 479 483 487 491 [2] _atom_site.U_iso_or_equiv . . . . . . . . . . . . . . . . . . . . . . . . 63 69 75 432 [1] = _atom_site_U_iso_or_equiv 431 [1] _atom_site_aniso_label . . . . . . . . . . . . . . . . . . . . . . . . . . 497 [2] = _atom_site_anisotrop.id 498 [1] _atom_site_aniso_type_symbol . . . . . . . . . . . . . . . . . . . . . . . 525 [2] = _atom_site_anisotrop.type_symbol 526 [1] _atom_site_aniso_U_11 . . . . . . . . . . . . . . . . . . . . . . . . . . 140 140 141 187 187 188 188 501 [2] = _atom_site_anisotrop.U[1][1] 140 141 141 502 [1] _atom_site_aniso_U_12 . . . . . . . . . . . . . . . . . . . . . . . . . . 513 529 533 537 [2] = _atom_site_anisotrop.U[1][2] 514 530 534 538 [1] _atom_site_aniso_U_13 . . . . . . . . . . . . . . . . . . . . . . . . . . 517 [2] = _atom_site_anisotrop.U[1][3] 518 [1] _atom_site_aniso_U_22 . . . . . . . . . . . . . . . . . . . . . . . . . . 505 [2] = _atom_site_anisotrop.U[2][2] 506 [1] _atom_site_aniso_U_23 . . . . . . . . . . . . . . . . . . . . . . . . . . 521 [2] = _atom_site_anisotrop.U[2][3] 522 [1] _atom_site_aniso_U_33 . . . . . . . . . . . . . . . . . . . . . . . . . . 509 [2] = _atom_site_anisotrop.U[3][3] 510 [2] _atom_site_anisotrop.id . . . . . . . . . . . . . . . . . . . . . . . . . 498 [1] = _atom_site_aniso_label 497 [2] _atom_site_anisotrop.type_symbol . . . . . . . . . . . . . . . . . . . . . 526 [1] = _atom_site_aniso_type_symbol 525 [2] _atom_site_anisotrop.U[1][1] . . . . . . . . . . . . . . . . . . . . . . . 140 141 141 502 [1] = _atom_site_aniso_U_11 140 140 141 187 187 188 188 501 [2] _atom_site_anisotrop.U[1][2] . . . . . . . . . . . . . . . . . . . . . . . 514 530 534 538 [1] = _atom_site_aniso_U_12 513 529 533 537 [2] _atom_site_anisotrop.U[1][3] . . . . . . . . . . . . . . . . . . . . . . . 518 [1] = _atom_site_aniso_U_13 517 [2] _atom_site_anisotrop.U[2][2] . . . . . . . . . . . . . . . . . . . . . . . 506 [1] = _atom_site_aniso_U_22 505 [2] _atom_site_anisotrop.U[2][3] . . . . . . . . . . . . . . . . . . . . . . . 522 [1] = _atom_site_aniso_U_23 521 [2] _atom_site_anisotrop.U[3][3] . . . . . . . . . . . . . . . . . . . . . . . 510 [1] = _atom_site_aniso_U_33 509 [1] _atom_site_calc_attached_atom . . . . . . . . . . . . . . . . . . . . . . 442 [2] = _atom_site.calc_attached_atom 443 [1] _atom_site_calc_flag . . . . . . . . . . . . . . . . . . . . . . . . . . . 439 [2] = _atom_site.calc_flag 440 [1] _atom_site_fract_x . . . . . . . . . . . . . . . . . . . . . . . . . . . . 419 [2] = _atom_site.fract_x 60 66 72 420 [1] _atom_site_fract_y . . . . . . . . . . . . . . . . . . . . . . . . . . . . 423 [2] = _atom_site.fract_y 61 67 73 424 [1] _atom_site_fract_z . . . . . . . . . . . . . . . . . . . . . . . . . . . . 427 [2] = _atom_site.fract_z 62 68 74 428 [1] _atom_site_label . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 415 [2] = _atom_site.id 59 65 71 416 [1] _atom_site_thermal_displace_type . . . . . . . . . . . . . . . . . . . . . 435 [2] = _atom_site.thermal_displace_type 436 [1] _atom_site_type_symbol . . . . . . . . . . . . . . . . . . . . . . . . . . 445 449 453 457 463 467 471 479 483 487 491 [2] = _atom_site.type_symbol 446 450 454 458 464 468 472 480 484 488 492 [1] _atom_site_U_iso_or_equiv . . . . . . . . . . . . . . . . . . . . . . . . 431 [2] = _atom_site.U_iso_or_equiv 63 69 75 432 [2] _atom_type.number_in_cell . . . . . . . . . . . . . . . . . . . . . . . . 372 396 400 [1] = _atom_type_number_in_cell 371 395 399 [2] _atom_type.oxidation_number . . . . . . . . . . . . . . . . . . . . . . . 368 392 404 [1] = _atom_type_oxidation_number 367 391 403 [2] _atom_type.scat_dispersion_imag . . . . . . . . . . . . . . . . . . . . . 380 [1] = _atom_type_scat_dispersion_imag 379 [2] _atom_type.scat_dispersion_real . . . . . . . . . . . . . . . . . . . . . 376 408 [1] = _atom_type_scat_dispersion_real 375 407 [2] _atom_type.scat_source . . . . . . . . . . . . . . . . . . . . . . . . . . 384 [1] = _atom_type_scat_source 383 [2] _atom_type.symbol . . . . . . . . . . . . . . . . . . . . . . . . . . . . 364 388 [1] = _atom_type_symbol 48 363 387 [1] _atom_type_number_in_cell . . . . . . . . . . . . . . . . . . . . . . . . 371 395 399 [2] = _atom_type.number_in_cell 372 396 400 [1] _atom_type_oxidation_number . . . . . . . . . . . . . . . . . . . . . . . 367 391 403 [2] = _atom_type.oxidation_number 368 392 404 [1] _atom_type_scat_dispersion_imag . . . . . . . . . . . . . . . . . . . . . 379 [2] = _atom_type.scat_dispersion_imag 380 [1] _atom_type_scat_dispersion_real . . . . . . . . . . . . . . . . . . . . . 375 407 [2] = _atom_type.scat_dispersion_real 376 408 [1] _atom_type_scat_source . . . . . . . . . . . . . . . . . . . . . . . . . . 383 [2] = _atom_type.scat_source 384 [1] _atom_type_symbol . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48 363 387 [2] = _atom_type.symbol 364 388 [2] _audit.creation_date . . . . . . . . . . . . . . . . . . . . . . . . . . . 235 [1] = _audit_creation_date 234 [2] _audit.creation_method . . . . . . . . . . . . . . . . . . . . . . . . . . 239 [1] = _audit_creation_method 238 [2] _audit.revision_id . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27 124 207 [2] _audit.update_record . . . . . . . . . . . . . . . . . . . . . . . . . . . 243 [1] = _audit_update_record 242 [1] _audit_creation_date . . . . . . . . . . . . . . . . . . . . . . . . . . . 234 [2] = _audit.creation_date 235 [1] _audit_creation_method . . . . . . . . . . . . . . . . . . . . . . . . . . 238 [2] = _audit.creation_method 239 [1] _audit_update_record . . . . . . . . . . . . . . . . . . . . . . . . . . . 242 [2] = _audit.update_record 243 [2] _cell.angle_alpha . . . . . . . . . . . . . . . . . . . . . . . . . . . . 280 [1] = _cell_angle_alpha 279 [2] _cell.angle_beta . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 284 [1] = _cell_angle_beta 283 [2] _cell.angle_gamma . . . . . . . . . . . . . . . . . . . . . . . . . . . . 288 [1] = _cell_angle_gamma 287 [2] _cell.entry_id . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33 130 213 [2] _cell.formula_units_Z . . . . . . . . . . . . . . . . . . . . . . . . . . 296 [1] = _cell_formula_units_Z 295 [2] _cell.length_a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 269 [1] = _cell_length_a 268 [2] _cell.length_b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 272 [1] = _cell_length_b 271 [2] _cell.length_c . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 276 [1] = _cell_length_c 275 [2] _cell.volume . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 292 [1] = _cell_volume 291 [1] _cell_angle_alpha . . . . . . . . . . . . . . . . . . . . . . . . . . . . 279 [2] = _cell.angle_alpha 280 [1] _cell_angle_beta . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 283 [2] = _cell.angle_beta 284 [1] _cell_angle_gamma . . . . . . . . . . . . . . . . . . . . . . . . . . . . 287 [2] = _cell.angle_gamma 288 [1] _cell_formula_units_Z . . . . . . . . . . . . . . . . . . . . . . . . . . 295 [2] = _cell.formula_units_Z 296 [1] _cell_length_a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 268 [2] = _cell.length_a 269 [1] _cell_length_b . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 271 [2] = _cell.length_b 272 [1] _cell_length_c . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 275 [2] = _cell.length_c 276 [2] _cell_measurement.entry_id . . . . . . . . . . . . . . . . . . . . . . . . 35 132 215 [2] _cell_measurement.reflns_used . . . . . . . . . . . . . . . . . . . . . . 304 [1] = _cell_measurement_reflns_used 303 [2] _cell_measurement.temp . . . . . . . . . . . . . . . . . . . . . . . . . . 300 [1] = _cell_measurement_temperature 299 [2] _cell_measurement.theta_max . . . . . . . . . . . . . . . . . . . . . . . 312 [1] = _cell_measurement_theta_max 311 [2] _cell_measurement.theta_min . . . . . . . . . . . . . . . . . . . . . . . 308 [1] = _cell_measurement_theta_min 307 [1] _cell_measurement_reflns_used . . . . . . . . . . . . . . . . . . . . . . 303 [2] = _cell_measurement.reflns_used 304 [1] _cell_measurement_temperature . . . . . . . . . . . . . . . . . . . . . . 299 [2] = _cell_measurement.temp 300 [1] _cell_measurement_theta_max . . . . . . . . . . . . . . . . . . . . . . . 311 [2] = _cell_measurement.theta_max 312 [1] _cell_measurement_theta_min . . . . . . . . . . . . . . . . . . . . . . . 307 [2] = _cell_measurement.theta_min 308 [1] _cell_volume . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 291 [2] = _cell.volume 292 [2] _chemical.entry_id . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29 126 209 [2] _chemical.melting_point . . . . . . . . . . . . . . . . . . . . . . . . . 266 [1] = _chemical_melting_point 265 [2] _chemical.name_systematic . . . . . . . . . . . . . . . . . . . . . . . . 250 [1] = _chemical_name_systematic 249 [2] _chemical_formula.entry_id . . . . . . . . . . . . . . . . . . . . . . . . 31 128 211 [2] _chemical_formula.moiety . . . . . . . . . . . . . . . . . . . . . . . . . 254 [1] = _chemical_formula_moiety 253 [2] _chemical_formula.sum . . . . . . . . . . . . . . . . . . . . . . . . . . 258 [1] = _chemical_formula_sum 257 [2] _chemical_formula.weight . . . . . . . . . . . . . . . . . . . . . . . . . 262 [1] = _chemical_formula_weight 261 [1] _chemical_formula_moiety . . . . . . . . . . . . . . . . . . . . . . . . . 253 [2] = _chemical_formula.moiety 254 [1] _chemical_formula_sum . . . . . . . . . . . . . . . . . . . . . . . . . . 257 [2] = _chemical_formula.sum 258 [1] _chemical_formula_weight . . . . . . . . . . . . . . . . . . . . . . . . . 261 [2] = _chemical_formula.weight 262 [1] _chemical_melting_point . . . . . . . . . . . . . . . . . . . . . . . . . 265 [2] = _chemical.melting_point 266 [1] _chemical_name_systematic . . . . . . . . . . . . . . . . . . . . . . . . 249 [2] = _chemical.name_systematic 250 [2] _diffrn_refln.attenuator_code . . . . . . . . . . . . . . . . . . . . . . 4 [1] = _diffrn_refln_attenuator_code 6 [1] _diffrn_refln_attenuator_code . . . . . . . . . . . . . . . . . . . . . . 6 [2] = _diffrn_refln.attenuator_code 4 [2] _refine_analyze.entry_id . . . . . . . . . . . . . . . . . . . . . . . . . 8 [2] _refine_ls_restr_ncs.dom_id . . . . . . . . . . . . . . . . . . . . . . . 10 [2] _symmetry.cell_setting . . . . . . . . . . . . . . . . . . . . . . . . . . 350 [1] = _symmetry_cell_setting 349 [2] _symmetry.entry_id . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37 134 217 [2] _symmetry.space_group_name_H-M . . . . . . . . . . . . . . . . . . . . . . 354 [1] = _symmetry_space_group_name_H-M 353 [2] _symmetry.space_group_name_Hall . . . . . . . . . . . . . . . . . . . . . 358 476 [1] = _symmetry_space_group_name_Hall 357 475 [1] _symmetry_cell_setting . . . . . . . . . . . . . . . . . . . . . . . . . . 349 [2] = _symmetry.cell_setting 350 [1] _symmetry_space_group_name_H-M . . . . . . . . . . . . . . . . . . . . . . 353 [2] = _symmetry.space_group_name_H-M 354 [1] _symmetry_space_group_name_Hall . . . . . . . . . . . . . . . . . . . . . 357 475 [2] = _symmetry.space_group_name_Hall 358 476