############################################################################## ### CIF submission form for powder diffraction data (IUCr journals) ### ### Version 11 February 2005 ### ############################################################################## # This is an electronic "form" for submitting powder diffraction data in CIF # format to an IUCr journal. The data for each powder profile should be sent # as a separate file consisting of one data block. The value of _pd_block_id # is used to associate each powder profile with a Rietveld refinement, since # it must match the value of _pd_block_diffractogram_id in the CIF used to # report the results of the refinement. The current version of the powder # CIF dictionary, which contains definitions of the terms starting _pd_, # may be obtained from http://www.iucr.org/iucr-top/cif/pd/index.html. # Note that the query marks '?' are significant as placeholders, and should # not be deleted where a data item is not given, UNLESS the accompanying data # name is also deleted. Lines should not exceed 80 characters in length. The # comments following a hash symbol '#' may be deleted if wished. data_I _pd_block_id 2006-01-07T17:18|LIGA|X.-X.Liu|PANalytical_X'pert_PRO loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 986.0 0.001014 971.73193 971.58679 993.0 0.001007 973.00726 972.87305 1019.0 0.000981 974.22913 974.10504 985.0 0.001015 975.39850 975.28400 1035.0 0.000966 976.51691 976.41199 1024.0 0.000977 977.58539 977.48975 1002.0 0.000998 978.60541 978.51843 985.0 0.001015 979.57825 979.49969 988.0 0.001012 980.50537 980.43481 987.0 0.001013 981.38776 981.32507 943.0 0.001060 982.22644 982.17126 975.0 0.001026 983.02295 982.97479 1019.0 0.000981 983.77844 983.73724 976.0 0.001025 984.49365 984.45892 956.0 0.001046 985.17047 985.14191 987.0 0.001013 985.80920 985.78656 1009.0 0.000991 986.41125 986.39417 986.0 0.001014 986.97754 986.96619 996.0 0.001004 987.50940 987.50330 1040.0 0.000962 988.00775 988.00641 999.0 0.001001 988.47363 988.47699 987.0 0.001013 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740.31061 869.0 0.001151 370.44928 801.27716 932.0 0.001073 370.27722 869.10486 1016.0 0.000984 370.10556 943.50751 1129.0 0.000886 369.93393 1024.14136 1234.0 0.000810 369.76273 1110.22412 1277.0 0.000783 369.59143 1200.85889 1412.0 0.000708 369.42035 1294.89624 1581.0 0.000633 369.24951 1390.75342 1643.0 0.000609 369.07880 1486.83435 1827.0 0.000547 368.90829 1581.09668 1884.0 0.000531 368.73785 1671.51624 2009.0 0.000498 368.56763 1755.98901 1988.0 0.000503 368.39761 1832.31042 2123.0 0.000471 368.22784 1898.67615 2141.0 0.000467 368.05804 1953.47339 2179.0 0.000459 367.88852 1995.69592 2233.0 0.000448 367.71909 2024.83301 2274.0 0.000440 367.54984 2040.80432 2243.0 0.000446 367.38071 2043.95227 2217.0 0.000451 367.21194 2034.81653 2170.0 0.000461 367.04327 2014.04016 2147.0 0.000466 366.87473 1982.24792 2106.0 0.000475 366.70633 1940.11096 2014.0 0.000497 366.53815 1888.22681 1934.0 0.000517 366.37012 1827.38806 1878.0 0.000532 366.20227 1758.46057 1845.0 0.000542 366.03442 1682.50903 1728.0 0.000579 365.86703 1600.97107 1589.0 0.000629 365.69958 1515.27405 1480.0 0.000676 365.53259 1427.14270 1319.0 0.000758 365.36557 1338.13635 1272.0 0.000786 365.19864 1249.71729 1249.0 0.000801 365.03210 1163.34949 1106.0 0.000904 364.86566 1080.09106 1020.0 0.000980 364.69928 1000.99738 995.0 0.001005 364.53320 926.76154 947.0 0.001056 364.36719 857.88666 836.0 0.001196 364.20154 794.81201 820.0 0.001220 364.03595 737.64160 795.0 0.001258 363.87048 686.47070 678.0 0.001475 363.70541 641.15240 667.0 0.001499 363.54022 601.43842 610.0 0.001639 363.37537 567.06219 547.0 0.001828 363.21060 537.59827 558.0 0.001792 363.04617 512.65717 559.0 0.001789 362.88187 491.77148 518.0 0.001931 362.71768 474.48431 495.0 0.002020 362.55371 460.38525 486.0 0.002058 362.38983 449.05701 469.0 0.002132 362.22635 440.15671 469.0 0.002132 362.06290 433.37216 466.0 0.002146 361.89960 428.45416 453.0 0.002208 361.73663 425.22345 475.0 0.002105 361.57361 423.55307 457.0 0.002188 361.41095 423.38547 464.0 0.002155 361.24838 424.71893 423.0 0.002364 361.08606 427.61288 455.0 0.002198 360.92395 432.17169 461.0 0.002169 360.76193 438.55331 457.0 0.002188 360.60025 446.93796 483.0 0.002070 360.43878 457.54178 484.0 0.002066 360.27725 470.59726 517.0 0.001934 360.11594 486.31107 534.0 0.001873 359.95486 504.90543 535.0 0.001869 359.79419 526.52545 569.0 0.001757 359.63351 551.29596 589.0 0.001698 359.47293 579.27930 628.0 0.001592 359.31268 610.40094 661.0 0.001513 359.15244 644.55963 680.0 0.001471 358.99261 681.46722 734.0 0.001362 358.83286 720.78204 804.0 0.001244 358.67337 762.05164 859.0 0.001164 358.51407 804.63153 898.0 0.001114 358.35480 847.86798 916.0 0.001092 358.19580 890.90436 1002.0 0.000998 358.03708 932.88379 1052.0 0.000951 357.87836 972.89838 997.0 0.001003 357.72006 1009.96771 1064.0 0.000940 357.56177 1043.26733 1097.0 0.000912 357.40378 1072.02161 1134.0 0.000882 357.24603 1095.71130 1152.0 0.000868 357.08832 1114.03589 1159.0 0.000863 356.93097 1126.88501 1108.0 0.000903 356.77356 1134.36804 1116.0 0.000896 356.61652 1136.68372 1155.0 0.000866 356.45978 1134.09485 1113.0 0.000898 356.30295 1126.85010 1091.0 0.000917 356.14645 1115.18567 1053.0 0.000950 355.99017 1099.28845 1047.0 0.000955 355.83420 1079.37524 1063.0 0.000941 355.67822 1055.66992 1066.0 0.000938 355.52240 1028.46069 1057.0 0.000946 355.36691 998.18329 1001.0 0.000999 355.21164 965.30096 923.0 0.001083 355.05655 930.43042 886.0 0.001129 354.90155 894.16998 858.0 0.001166 354.74673 857.12036 820.0 0.001220 354.59244 819.92517 769.0 0.001300 354.43784 783.09033 744.0 0.001344 354.28378 747.14789 753.0 0.001328 354.12991 712.48749 685.0 0.001460 353.97614 679.42017 669.0 0.001495 353.82254 648.23303 636.0 0.001572 353.66904 619.05255 639.0 0.001565 353.51593 592.00244 623.0 0.001605 353.36313 567.08643 570.0 0.001754 353.21024 544.25903 565.0 0.001770 353.05765 523.47754 530.0 0.001887 352.90533 504.61880 488.0 0.002049 352.75311 487.59274 499.0 0.002004 352.60120 472.26584 503.0 0.001988 352.44940 458.50522 495.0 0.002020 352.29770 446.20218 450.0 0.002222 352.14630 435.21829 478.0 0.002092 351.99521 425.44772 487.0 0.002053 351.84421 416.77072 449.0 0.002227 351.69336 409.07794 445.0 0.002247 351.54294 402.28210 449.0 0.002227 351.39243 396.28674 452.0 0.002212 351.24219 391.01828 453.0 0.002208 351.09241 386.39951 429.0 0.002331 350.94241 382.36053 448.0 0.002232 350.79291 378.84445 445.0 0.002247 350.64349 375.78879 404.0 0.002475 350.49435 373.14352 428.0 0.002336 350.34543 370.85699 412.0 0.002427 350.19662 368.88147 410.0 0.002439 350.04810 367.17728 360.0 0.002778 349.89966 365.70294 395.0 0.002532 349.75165 364.42590 416.0 0.002404 349.60370 363.31369 400.0 0.002500 349.45572 362.33881 391.0 0.002558 349.30832 361.47867 369.0 0.002710 349.16095 360.71204 360.0 0.002778 349.01385 360.02295 360.0 0.002778 348.86682 359.39697 368.0 0.002717 348.72003 358.82224 370.0 0.002703 348.57361 358.29022 370.0 0.002703 348.42719 357.79285 388.0 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