#----------------------------------------------------------------------------- #data_name_MgSiO3_pyroxene_C2/c data_I #----------------------------------------------------------------------------- loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_calc _refln_F_meas _refln_F_sigma _refln_observed_status 6 0 0 67.20595 67.39127 .17288 o 8 0 0 47.06406 45.71030 .22525 o 10 0 0 52.39889 53.98983 .25094 o 12 0 0 21.54322 21.86692 .43673 o 14 0 0 32.91728 31.22901 .40254 o 3 1 0 89.78457 90.32861 .08639 o 5 1 0 56.25878 56.40493 .11154 o 7 1 0 43.16153 42.69222 .14690 o 11 1 0 24.45945 25.44492 .25935 o 15 1 0 10.72036 10.86710 .37186 o 17 1 0 25.62385 24.36677 .36825 o 0 2 0 43.03043 43.71603 .11289 o 2 2 0 48.97894 48.28022 .09201 o 4 2 0 16.71574 16.29987 .19575 o 8 2 0 11.56994 12.14679 .25443 o 10 2 0 9.30465 8.63833 .33883 o 12 2 0 12.18796 12.10263 .28868 o 14 2 0 7.17799 7.31718 .52598 o 1 3 0 14.51325 15.78385 .18597 o 3 3 0 41.15175 41.71905 .11146 o 5 3 0 21.02835 20.24972 .18597 o 7 3 0 23.88817 23.91847 .20187 o 9 3 0 12.68608 12.70093 .25810 o 11 3 0 9.71322 9.77225 .32782 o 2 4 0 18.11499 16.98427 .19086 o 4 4 0 59.83941 60.28299 .11888 o 6 4 0 16.29056 15.53000 .26546 o 8 4 0 18.39339 19.68312 .26424 o 10 4 0 42.72178 42.34837 .20314 o 12 4 0 13.67817 13.94127 .32294 o 1 5 0 65.05000 65.40683 .11037 o 3 5 0 59.48036 58.44743 .12254 o 5 5 0 24.05651 24.25053 .19453 o 7 5 0 85.86771 85.44123 .14713 o 11 5 0 17.32091 17.46224 .33028 o 13 5 0 16.43519 16.15324 .32906 o 17 5 0 19.37313 19.17185 .35721 o 0 6 0 104.69090 104.76240 .16480 o 4 6 0 28.81763 29.49827 .17742 o 6 6 0 11.24634 11.97058 .26667 o 10 6 0 46.88818 48.22089 .20928 o 12 6 0 19.34076 18.77883 .34619 o 14 6 0 13.07283 13.42751 .32905 o 1 7 0 10.19595 9.56937 .24465 o 5 7 0 41.22611 41.34280 .17379 o 7 7 0 33.82932 34.72004 .20801 o 0 8 0 16.44818 16.34571 .40002 o 4 8 0 17.80191 19.16792 .27157 o 6 8 0 12.56599 12.01219 .28624 o 14 8 0 7.26586 7.32454 .56512 o 3 9 0 17.10475 16.24034 .32662 o 7 9 0 13.62601 14.69969 .32783 o 0 10 0 48.60477 50.67434 .26438 o 4 10 0 29.89155 30.57800 .23613 o 6 10 0 16.79082 16.84197 .33640 o 10 10 0 23.33068 24.00954 .33520 o 14 10 0 15.75284 15.35941 .35108 o 3 11 0 40.39975 40.68971 .22271 o 7 11 0 26.19210 26.54024 .30218 o 11 11 0 14.60481 13.69680 .33884 o 0 12 0 36.33981 36.43204 .34138 o 10 12 0 10.09990 9.89217 .43302 o 7 15 0 18.09823 18.80334 .39146 o 0 16 0 14.61499 14.44424 .43670 o 4 16 0 15.77697 14.36366 .34007 o 10 16 0 13.60032 13.73340 .32538 o 3 17 0 10.34051 10.57476 .41345 o 7 17 0 9.05253 8.52213 .50641 o 0 18 0 6.75265 7.23523 .80854 o -15 1 1 10.76421 10.37291 .53088 o -7 1 1 24.98166 23.84538 .26428 o -5 1 1 31.96511 31.54340 .19095 o -3 1 1 66.72914 66.68842 .12170 o 3 1 1 62.15071 61.08509 .13866 o 5 1 1 20.11229 20.11592 .27283 o 7 1 1 15.80661 16.28087 .39268 o 9 1 1 11.91862 12.76812 .40122 o 11 1 1 12.12180 12.13443 .38899 o -12 2 1 51.95368 52.79123 .28519 o -10 2 1 14.29137 15.62098 .47462 o -8 2 1 34.57922 34.66194 .24230 o -6 2 1 29.09374 27.96813 .22516 o -4 2 1 40.16358 41.46140 .16044 o -2 2 1 127.33980 127.54710 .11463 o 0 2 1 53.23369 52.10761 .12154 o 2 2 1 82.75176 81.36321 .13048 o 4 2 1 19.47707 19.67335 .25938 o 6 2 1 46.87145 45.45269 .20813 o 8 2 1 40.91805 41.95885 .25088 o 10 2 1 20.19392 20.77309 .41960 o 16 2 1 15.16406 15.17949 .45995 o -19 3 1 15.77679 15.98817 .50154 o -17 3 1 11.44341 11.58277 .53822 o -15 3 1 20.22125 21.33338 .51869 o -13 3 1 10.07654 10.88784 .47094 o -11 3 1 25.21075 25.91617 .36702 o -9 3 1 48.80636 48.74282 .24237 o -7 3 1 45.93119 45.24128 .20812 o -5 3 1 112.66040 111.11490 .15645 o -3 3 1 76.20013 79.00202 .13885 o -1 3 1 65.73265 64.65068 .13020 o 3 3 1 16.51010 16.28958 .28995 o 5 3 1 133.17390 134.36460 .17387 o 7 3 1 14.82640 14.68543 .44405 o 9 3 1 32.67891 33.54705 .30221 o 11 3 1 7.71981 7.42606 .64463 o 13 3 1 12.66326 12.28860 .44893 o 15 3 1 23.96375 23.11695 .51504 o -12 4 1 33.59549 34.32958 .34136 o -10 4 1 21.35557 20.61195 .41104 o -4 4 1 6.72372 6.29467 .40121 o -2 4 1 52.50464 52.88256 .15565 o 0 4 1 78.44999 78.17083 .13884 o 2 4 1 25.04905 25.94171 .21659 o 6 4 1 12.62661 12.33898 .40490 o 8 4 1 14.55048 14.92865 .40245 o 10 4 1 24.47668 25.44972 .38536 o 12 4 1 19.39470 17.76839 .54926 o 16 4 1 10.19435 10.47322 .58470 o -17 5 1 6.57554 6.07808 .97122 o -7 5 1 6.57095 6.97715 .49907 o -3 5 1 27.46892 27.60595 .22515 o 1 5 1 4.82586 5.10931 .50274 o 3 5 1 30.38389 29.28344 .23373 o 5 5 1 6.78887 6.37902 .51497 o -12 6 1 6.95076 6.52332 .76328 o -6 6 1 13.44120 12.68030 .35719 o -4 6 1 11.72271 11.50102 .39633 o -2 6 1 16.37855 16.53093 .33275 o 0 6 1 31.10753 31.07082 .22517 o 4 6 1 7.13119 6.66159 .50274 o 12 6 1 10.61793 10.24691 .51742 o -9 7 1 21.74513 20.70243 .44896 o -5 7 1 53.96292 53.80377 .22895 o -3 7 1 19.71087 19.71444 .32908 o -1 7 1 32.73400 33.40696 .23740 o 1 7 1 40.55909 40.11506 .22521 o 3 7 1 12.93892 13.01666 .39389 o 5 7 1 38.75387 38.93923 .26433 o 7 7 1 5.45223 5.61079 .74370 o 9 7 1 27.30018 28.52375 .37192 o 15 7 1 16.11444 15.60411 .50644 o -12 8 1 34.57976 33.62324 .39154 o -8 8 1 32.83409 32.98971 .33280 o -6 8 1 20.10826 19.64532 .41960 o -4 8 1 13.35223 12.64475 .38043 o -2 8 1 74.11920 75.17771 .21689 o 0 8 1 11.44137 12.46112 .36819 o 2 8 1 57.03277 57.80602 .22897 o 6 8 1 31.74775 31.84787 .32056 o 8 8 1 29.86055 30.95945 .36337 o 10 8 1 12.03123 11.38458 .46483 o 12 8 1 28.69813 27.30007 .46736 o 16 8 1 10.88792 10.96745 .56635 o -17 9 1 8.43452 8.71537 .70212 o -15 9 1 8.50275 8.07563 .73515 o -9 9 1 15.50626 15.84484 .47340 o -7 9 1 29.55598 31.08302 .34134 o -5 9 1 42.78924 42.96693 .27657 o 5 9 1 44.06712 44.94991 .28514 o 7 9 1 17.51468 18.88616 .49298 o 9 9 1 13.89218 13.70032 .47584 o 15 9 1 13.17190 14.10036 .45382 o -6 10 1 7.27795 7.23768 .64340 o -2 10 1 19.20543 18.85355 .44895 o 0 10 1 27.20060 27.14166 .34990 o 10 10 1 10.89542 10.87322 .52109 o -3 11 1 4.93993 4.94903 .93085 o -12 12 1 13.49607 14.00253 .44893 o -2 12 1 19.11104 19.22283 .50033 o 12 12 1 11.42557 11.36504 .53822 o -1 13 1 21.51707 20.87970 .50279 o 5 13 1 25.08366 24.28538 .48691 o 9 13 1 15.76125 15.61505 .44405 o -12 14 1 15.64494 15.42790 .46484 o -2 14 1 17.91302 16.83853 .44528 o 8 14 1 13.27530 12.73644 .48074 o -9 15 1 6.28577 6.48173 .92596 o -7 15 1 10.14674 10.98575 .55045 o 7 15 1 6.44697 6.64931 .94309 o -16 0 2 12.83986 12.30577 .68501 o -14 0 2 33.58425 31.98287 .55058 o -12 0 2 24.76723 25.22596 .53828 o -10 0 2 59.19886 59.92446 .34285 o -8 0 2 20.26390 21.28676 .42818 o -6 0 2 73.88213 74.27841 .23308 o -4 0 2 83.56468 83.77377 .19674 o -2 0 2 48.04008 49.93341 .19615 o 0 0 2 136.51490 136.18670 .17428 o 2 0 2 53.94119 56.28519 .20837 o 4 0 2 90.67980 89.77123 .23336 o 10 0 2 63.95516 67.03734 .37957 o 14 0 2 15.99908 15.32756 .66057 o -19 1 2 6.60754 6.99670 .88193 o -17 1 2 16.05739 15.51966 .50643 o -13 1 2 21.25178 21.72982 .44039 o -9 1 2 20.73958 20.42396 .33765 o -7 1 2 98.09031 97.88290 .17320 o -5 1 2 21.46860 20.11489 .25082 o 1 1 2 65.63651 68.95206 .13870 o 3 1 2 49.40139 48.97269 .17272 o 5 1 2 46.55447 46.67630 .20813 o 7 1 2 50.29091 50.60077 .23382 o 9 1 2 8.74149 9.22544 .47216 o 11 1 2 14.15933 14.87954 .42324 o 13 1 2 14.16197 12.76459 .44526 o -12 2 2 22.39138 22.12651 .40982 o -10 2 2 30.02346 29.47904 .30220 o -8 2 2 14.90688 15.28738 .39757 o -6 2 2 41.19524 41.12729 .19955 o -4 2 2 24.71772 25.51384 .21659 o 0 2 2 43.17713 44.77628 .15190 o 2 2 2 42.70375 42.15108 .17267 o 4 2 2 41.72862 41.83646 .19954 o 6 2 2 17.46465 16.99185 .38534 o 8 2 2 31.66481 31.27578 .30711 o 10 2 2 18.98906 18.15734 .49543 o -17 3 2 7.46024 7.49579 .76573 o -7 3 2 12.21014 12.14572 .32783 o -5 3 2 17.80487 17.92873 .29361 o -3 3 2 26.68917 27.47702 .20314 o -1 3 2 26.26739 25.89784 .20315 o 1 3 2 33.03335 33.02570 .18605 o 3 3 2 14.42989 14.70910 .35354 o -14 4 2 21.59379 21.22472 .49300 o -12 4 2 14.78522 15.45087 .40245 o -10 4 2 20.34724 19.95359 .40981 o -8 4 2 6.55001 7.23891 .49907 o -6 4 2 18.39160 18.61701 .32419 o -4 4 2 14.61130 14.85475 .34131 o -2 4 2 32.47558 32.03672 .19950 o 0 4 2 54.30084 54.10213 .16909 o 2 4 2 30.86451 31.00280 .22028 o 4 4 2 21.83291 22.55977 .29362 o 10 4 2 16.88741 16.29395 .57127 o 14 4 2 14.85773 14.91765 .46239 o -17 5 2 26.70003 27.69490 .47102 o -13 5 2 12.32094 12.93933 .41223 o -11 5 2 19.53641 19.79056 .45874 o -9 5 2 8.49986 8.50987 .46727 o -7 5 2 67.76930 67.42079 .21683 o -5 5 2 10.51230 10.51619 .32905 o -3 5 2 93.99164 92.19433 .17319 o -1 5 2 11.23899 10.22280 .33640 o 1 5 2 23.09178 22.73605 .26794 o 3 5 2 95.77709 94.84913 .19150 o 7 5 2 38.72977 40.29588 .27655 o 11 5 2 32.75682 29.25287 .40131 o 17 5 2 16.95887 16.25011 .49298 o -14 6 2 32.02032 32.30058 .40620 o -12 6 2 16.80993 16.01137 .48808 o -10 6 2 18.58566 19.87236 .44895 o -8 6 2 7.07781 7.01996 .56267 o -6 6 2 58.29296 57.82949 .22042 o -4 6 2 19.71987 21.11407 .31073 o -2 6 2 56.71533 55.98027 .19965 o 0 6 2 103.40470 101.29470 .18183 o 4 6 2 20.40897 22.21845 .34131 o 8 6 2 8.13303 8.59424 .52231 o 10 6 2 30.89023 29.28253 .40007 o 12 6 2 9.56555 10.59792 .57246 o 14 6 2 18.67143 17.08469 .47587 o -17 7 2 15.07889 14.79662 .47585 o -7 7 2 23.12996 22.04753 .37924 o -5 7 2 27.60332 27.14287 .30220 o -3 7 2 13.60096 14.30361 .43670 o -1 7 2 21.80519 22.11894 .31197 o 1 7 2 8.11931 7.53499 .45993 o 3 7 2 27.50752 27.14148 .30709 o 5 7 2 26.36830 27.23084 .33277 o 0 8 2 7.83309 8.04993 .45993 o -13 9 2 13.40250 11.86668 .49786 o -9 9 2 12.32020 11.87878 .42691 o -7 9 2 23.59803 23.24129 .41961 o 1 9 2 10.50763 10.84508 .38898 o 5 9 2 15.61730 16.72194 .43548 o -14 10 2 13.99094 14.23010 .44404 o -12 10 2 8.23117 8.81565 .64830 o -10 10 2 31.52955 30.82581 .39763 o -4 10 2 34.67601 35.83181 .31568 o 0 10 2 32.03587 32.61868 .32912 o 2 10 2 8.91052 9.28049 .49907 o 4 10 2 39.09265 40.61269 .31570 o 6 10 2 10.57407 10.11846 .51742 o 10 10 2 23.99730 21.62927 .55786 o -13 11 2 12.85357 13.75291 .45382 o -7 11 2 36.26190 35.69668 .35851 o -3 11 2 29.08395 31.20991 .35847 o 3 11 2 30.21647 31.92610 .36337 o 7 11 2 26.74774 23.95187 .49059 o 11 11 2 11.46321 10.95892 .55657 o 13 11 2 9.38954 8.87932 .69234 o -14 12 2 9.92505 10.52458 .58348 o -12 12 2 10.65895 11.32094 .52721 o -4 12 2 8.59832 8.75694 .58102 o -2 12 2 18.06764 19.04161 .50889 o 0 12 2 20.50192 19.57296 .49299 o 4 12 2 10.08047 9.55209 .54555 o 10 12 2 14.95209 14.65959 .47218 o 0 14 2 9.91196 9.71845 .59693 o 3 15 2 13.75171 14.12364 .44404 o -10 16 2 11.94697 10.94183 .56269 o -4 16 2 12.17923 11.80057 .52844 o 0 16 2 16.94655 15.59445 .46485 o 4 16 2 12.65708 12.54190 .49908 o 6 16 2 7.16819 6.50010 .93208 o -3 17 2 12.33019 11.81037 .53578 o 3 17 2 10.36506 10.27996 .61161 o -7 1 3 25.49756 25.74490 .27284 o -5 1 3 33.75631 34.09750 .20806 o -3 1 3 50.61593 49.97614 .16416 o 1 1 3 18.80360 18.92011 .27649 o 3 1 3 29.63529 28.85342 .24595 o 9 1 3 18.92224 19.12617 .47586 o -18 2 3 11.07370 10.33016 .58470 o -16 2 3 11.10054 10.41820 .53088 o -14 2 3 13.13095 13.65621 .40244 o -12 2 3 42.83979 42.69025 .29859 o -8 2 3 49.72428 48.41169 .22526 o -6 2 3 7.66943 7.75519 .38042 o -4 2 3 5.67447 5.42491 .49540 o -2 2 3 102.84890 103.26130 .15629 o 2 2 3 63.84005 64.63634 .18137 o 4 2 3 7.67209 7.59002 .43546 o 6 2 3 30.53060 30.81065 .29854 o 8 2 3 37.75277 38.29340 .30224 o 10 2 3 8.82153 8.97590 .56390 o 12 2 3 21.28020 19.48394 .57496 o -19 3 3 21.25278 22.68205 .54072 o -15 3 3 17.45977 18.22075 .45751 o -11 3 3 24.90602 24.99608 .37680 o -9 3 3 63.62612 62.42049 .23391 o -7 3 3 31.04617 29.77658 .25941 o -5 3 3 62.29326 61.12924 .19114 o -3 3 3 25.29061 25.21066 .23737 o -1 3 3 94.94342 93.75594 .16467 o 1 3 3 31.95182 30.73721 .22884 o 3 3 3 15.89714 16.37024 .37922 o 5 3 3 75.77742 76.66507 .21689 o 9 3 3 36.63730 38.80602 .32914 o -14 4 3 14.93414 15.25151 .44526 o -12 4 3 25.44841 24.20699 .41962 o -10 4 3 8.05994 8.84867 .47338 o -8 4 3 21.74137 21.60703 .35845 o -6 4 3 20.17588 18.47164 .34499 o -4 4 3 17.72222 18.13126 .32419 o -2 4 3 58.46371 57.09743 .18622 o 0 4 3 33.04634 32.63439 .22885 o 2 4 3 16.41096 16.39115 .36210 o 4 4 3 20.72462 21.16280 .34132 o 8 4 3 17.23600 16.79923 .51867 o 10 4 3 13.88404 13.48992 .40979 o 12 4 3 11.87667 11.89592 .48807 o -7 5 3 11.82452 11.50578 .36330 o -5 5 3 18.63297 17.81180 .36333 o -3 5 3 23.11638 22.90532 .28996 o -1 5 3 7.23316 7.87747 .39387 o 1 5 3 13.80643 12.87493 .38533 o 3 5 3 13.14084 12.41846 .36698 o 9 5 3 10.50835 10.27992 .49418 o -12 6 3 7.36014 7.89576 .62261 o -10 6 3 8.15782 8.49271 .53699 o -8 6 3 7.49821 8.20402 .49417 o -2 6 3 5.07173 5.64382 .59692 o 0 6 3 19.30252 20.79804 .32419 o 2 6 3 9.42930 8.83776 .41467 o 4 6 3 10.14250 10.86219 .37186 o -15 7 3 14.99962 14.26077 .43670 o -9 7 3 26.29054 25.26435 .38904 o -5 7 3 43.97380 43.22007 .25579 o -3 7 3 15.66022 17.10143 .41836 o -1 7 3 28.99725 30.66110 .28508 o 1 7 3 28.23355 28.44583 .30220 o 5 7 3 29.06513 30.19467 .33767 o 9 7 3 23.72279 22.30423 .48812 o -18 8 3 10.27291 10.70441 .57002 o -14 8 3 7.26432 7.78079 .76205 o -12 8 3 34.28088 34.64103 .38542 o -10 8 3 5.58680 5.86766 .83666 o -8 8 3 32.86734 33.25142 .33647 o -6 8 3 18.40265 18.15979 .45873 o -4 8 3 7.85326 7.42975 .54066 o -2 8 3 53.44666 53.15989 .24239 o 2 8 3 55.09022 58.19109 .25952 o 6 8 3 18.60584 18.08875 .51500 o 8 8 3 30.28250 30.06048 .40619 o 12 8 3 16.45328 16.32955 .48442 o -15 9 3 10.07305 10.84507 .57002 o -11 9 3 7.58572 6.90620 .77306 o -9 9 3 30.69404 31.26688 .37683 o -7 9 3 23.51778 22.52679 .43184 o -5 9 3 18.12158 18.06305 .48320 o -1 9 3 30.77979 30.36452 .32422 o 3 9 3 18.53898 19.99588 .44895 o 5 9 3 33.97488 34.28938 .35482 o 9 9 3 12.59700 11.87150 .48440 o -14 10 3 7.43986 7.48968 .80731 o -2 10 3 15.41866 14.61792 .46117 o 0 10 3 14.28878 15.65755 .38777 o 4 10 3 7.79076 7.69639 .64218 o -8 12 3 16.01523 14.89816 .44405 o -2 12 3 21.26459 21.25397 .49667 o 0 12 3 6.48968 6.93920 .73025 o 12 12 3 10.63542 10.79617 .56268 o -9 13 3 12.25313 13.06538 .47095 o -5 13 3 29.09397 26.56728 .46614 o -3 13 3 5.79569 6.99668 .77795 o -1 13 3 13.90224 13.60860 .45994 o 1 13 3 19.52967 17.62171 .50278 o 5 13 3 16.12650 14.98264 .46117 o 9 13 3 17.28125 17.14810 .53702 o -8 14 3 13.47813 14.07102 .44526 o -2 14 3 17.76847 16.10703 .46852 o 2 14 3 17.47969 17.05262 .45751 o -1 17 3 7.05330 6.99916 .85624 o -20 0 4 14.84667 15.42533 .73396 o -16 0 4 4.94339 4.92947 1.52899 o -14 0 4 43.19378 44.04262 .48950 o -10 0 4 30.67920 30.44060 .45269 o -8 0 4 13.83706 13.77389 .67279 o -6 0 4 83.67949 83.59048 .26980 o -4 0 4 76.13223 76.02372 .25750 o -2 0 4 41.78300 42.58726 .29379 o 0 0 4 90.02998 91.43000 .25772 o 2 0 4 18.49610 19.18186 .48933 o 4 0 4 52.89502 54.57530 .33054 o 6 0 4 17.76662 17.88443 .66057 o 8 0 4 8.98271 9.18630 .74616 o 10 0 4 27.46589 25.93642 .64841 o 14 0 4 25.00794 23.24474 .77075 o -19 1 4 11.05955 11.98886 .49296 o -13 1 4 14.45862 13.80923 .41101 o -11 1 4 11.85560 11.88366 .38042 o -7 1 4 38.61315 39.46778 .24231 o -5 1 4 20.74923 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