1 experimental TP3 test 5 - 90 180 170 160 150 140 130 Lin (Counts) 120 110 100 90 80 70 60 50 40 30 20 10 0 5 10 20 30 40 50 60 70 80 90 2-Theta - Scale TP3 test 5 - 90 - File: tp3.raw - Type: 2Th/Th locked - Start: 5.000 ° - End: 90.000 ° - Step: 0.020 ° - Step time: 1. s - Temp.: 25 °C (Room) - Time Started: 2 s - 2-Theta: 5.000 ° - Theta: 2.500 ° - Phi: 0.00 ° Operations: Import 1 calculated 1 2 experimental Lisa 1000 900 800 Lin (Counts) 700 600 500 400 300 200 100 0 10 20 30 40 50 60 2-Theta - Scale PC31 - File: lisa.RAW - Type: 2Th/Th locked - Start: 10.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 5. s - Temp.: 25 °C (Room) - Time Started: 0 s - 2-Theta: 10.000 ° - Theta: 5.000 ° - Phi: 0.00 ° - Aux1: Operations: Import 2 calculated 2 3 experimental Marx 8 - 60 Deg d= 5.6 84 36 ,15 .57 6° 110000 d=3.38721,26.290 ° 100000 90000 30000 20000 10000 d=2.04362,44.287 ° 40000 d=3.51138,25.344 ° 50000 d=4.92778,17.986 ° d=4.77177,18.580 ° d=7.90453,11.185 ° 60000 d=2.23080,40.400 ° d=2.19389,41.111 ° Lin (Counts) 70000 d=2.84774,31.387 ° d=3.01230,29.632 ° 80000 0 10 20 30 40 2-Theta - Scale Marx 8 - 60 Deg - File: marx2.raw - Type: 2Th/Th locked - Start: 8.000 ° - End: 60.000 ° - Step: 0.025 ° - Step time: 30. s - Temp.: 25 °C (Room) - Time Started: 3 s - 2-Theta: 8.000 ° - Theta: 4.000 ° - Phi: 0.0 Operations: Import 3 calculated 3 4 experimental d= 3.2 72 10 ,27 .23 2° 90000 80000 70000 Lin (Counts) 60000 50000 10000 d=3.45679,25.751 ° d=3.73668,23.793 ° 20000 d=4.90494,18.071 ° d=6.60863,13.387 ° 30000 d=4.44910,19.940 ° 40000 0 11 20 30 40 50 2-Theta - Scale Roberts 30s steps 5-60 deg - File: roberts2.raw - Type: 2Th/Th locked - Start: 5.000 ° - End: 60.000 ° - Step: 0.025 ° - Step time: 30. s - Temp.: 25 °C (Room) - Time Started: 1 s - 2-Theta: 5.000 ° - Theta: 2.5 Operations: Import 4 calculated 4 5 experimental 4000 Lin (Counts) 3000 2000 1000 0 10 20 30 40 50 60 2-Theta - Scale PC26 recryst - File: marge.RAW - Type: 2Th/Th locked - Start: 10.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 5. s - Temp.: 25 °C (Room) - Time Started: 1 s - 2-Theta: 10.000 ° - Theta: 5.000 ° - Phi: 0.0 Operations: Import 5 calculated 5 6 experimental Abe 400 Lin (Counts) 300 200 100 0 10 20 30 40 50 60 2-Theta - Scale PC27 recryst - File: abe.RAW - Type: 2Th/Th locked - Start: 10.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 5. s - Temp.: 25 °C (Room) - Time Started: 2 s - 2-Theta: 10.000 ° - Theta: 5.000 ° - Phi: 0.00 ° Operations: Import 6 calculated 6 7 experimental d=8.0847,10.935 ° Reno 9 sec 5 - 60 d=11.5081,7.676 ° d=11.1823,7.900 ° 3000 d=2.2959,39.207 ° d=2.2578,39.897 ° d=2.4143,37.211 ° d=2.8694,31.145 ° d=2.6625,33.634 ° d=3.0274,29.481 ° d=2.7738,32.246 ° d=3.5574,25.011 ° d=3.2462,27.454 ° d=4.0478,21.940 ° 1000 ° d=4.4580,19.900d=4.5089,19.673 ° 2000 d=7.2601,12.181 ° Lin (Counts) d=5.1471,17.214 ° 0 6 10 20 30 40 50 60 2-Theta - Scale Reno 9 sec 5 - 60 - File: reno.raw - Type: 2Th/Th locked - Start: 5.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 9. s - Temp.: 25 °C (Room) - Time Started: 1 s - 2-Theta: 5.000 ° - Theta: 2.500 ° - Phi: 0.00 Operations: Import 7 calculated 7 8 experimental pearce 5 - 60 deg 10 secs 14000 13000 12000 11000 10000 Lin (Counts) 9000 8000 7000 6000 5000 4000 3000 2000 1000 0 5 10 20 30 40 50 60 2-Theta - Scale pearce 5 - 60 deg 10 secs - File: tomppearce.raw - Type: 2Th/Th locked - Start: 5.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 10. s - Temp.: 25 °C (Room) - Time Started: 4 s - 2-Theta: 5.000 ° - Theta: 2. Operations: Import 8 calculated 8 9 experimental 80000 70000 60000 Lin (Counts) 50000 40000 30000 20000 10000 0 5 10 20 30 40 50 60 2-Theta - Scale weaving 20 sec 5 - 60 deg - File: weaving.raw - Type: 2Th/Th locked - Start: 5.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 20. s - Temp.: 25 °C (Room) - Time Started: 2 s - 2-Theta: 5.000 ° - Theta: 2.50 Operations: Import 9 calculated 9 10 experimental 1800 1700 1600 d= 3.5 35 58 ,25 .16 8° d=8.08195,10.938 ° 1900 1500 500 400 300 d=2.09175,43.216 ° d=2.40983,37.283 ° 600 d=3.00083,29.748 ° d=7.31454,12.090 ° 700 d=2.85550,31.300 ° 800 d=5.01244,17.680 ° 900 d=3.33866,26.679 ° 1000 d=3.11095,28.672 ° 1100 d=6.78917,13.030 ° Lin (Counts) 1200 d=3.62156,24.561 ° d=5.82453,15.199 ° 1300 d=4.13206,21.488 ° d=4.51402,19.651 ° 1400 200 100 0 11 20 30 40 50 2-Theta - Scale Moore 10 - 50 deg 30s - File: moorea.raw - Type: 2Th/Th locked - Start: 10.000 ° - End: 50.000 ° - Step: 0.020 ° - Step time: 30. s - Temp.: 25 °C (Room) - Time Started: 0 s - 2-Theta: 10.000 ° - Theta: 5.0 Operations: Import 10 calculated 10 11 experimental d=3.35731,26.528 ° 40000 d=3.20293,27.832 ° d=3.04188,29.338 ° 10000 d=4.28096,20.732 ° d=6.43558,13.749 ° d=5.83820,15.164 ° 20000 d=3.97012,22.375 ° Lin (Counts) 30000 0 5 10 20 30 40 50 60 2-Theta - Scale Tandy 5 - 60 deg 25sec - File: tandy.raw - Type: 2Th/Th locked - Start: 5.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 25. s - Temp.: 25 °C (Room) - Time Started: 3 s - 2-Theta: 5.000 ° - Theta: 2.500 ° Operations: Import 11 calculated 11 12 experimental 2000 d=4.0344,22.014 ° d=4.9019,18.082 ° d=8.1394,10.861 ° 1800 d=3.6189,24.580 ° 1900 1700 1600 1500 1400 1200 1100 300 d=1.9859,45.647 ° d=2.9292,30.493 ° d=2.2118,40.763 ° 400 d=2.7372,32.690 ° 500 d=2.8161,31.749 ° 600 d=3.2882,27.096 ° 700 d=3.0717,29.047 ° 800 d=3.4370,25.902 ° 900 d=6.0837,14.548 ° 1000 d=7.1956,12.291 ° Lin (Counts) 1300 200 100 0 5 10 20 30 40 50 60 2-Theta - Scale Baldwin 9sec. 5 - 60 deg - File: baldwin.raw - Type: 2Th/Th locked - Start: 5.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 9. s - Temp.: 25 °C (Room) - Time Started: 0 s - 2-Theta: 5.000 ° - Theta: 2.500 ° Operations: Import 12 calculated 12 13 experimental d=3.86316,23.003 ° d=4.53379,19.564 ° d=1.86011,48.927 ° d=2.02371,44.746 ° d=2.22999,40.416 ° d=2.41172,37.253 ° d=2.37694,37.819 ° d=3.26177,27.320 ° d=3.23913,27.515 ° d=4.75159,18.659 ° d=5.38406,16.451 ° 2000 d=6.95007,12.727 ° 3000 d=6.26635,14.122 ° d=7.55382,11.706 ° Lin (Counts) 4000 d=2.99696,29.787 ° d=3.82138,23.258 ° 5000 d=2.85151,31.345 ° 6000 d=9.37052,9.431 ° d=4.60314,19.267 ° 7000 1000 0 9 10 20 30 40 50 2-Theta - Scale Kelly 8 - 52 deg 30s - File: diffdat1kellya.raw - Type: 2Th/Th locked - Start: 8.000 ° - End: 52.000 ° - Step: 0.020 ° - Step time: 30. s - Temp.: 25 °C (Room) - Time Started: 0 s - 2-Theta: 8.000 ° - Theta: 4.000 Operations: Import 13 calculated 13 14 experimental 1500 1400 1300 1200 1100 Lin (Counts) 1000 900 800 700 600 500 400 300 200 100 0 10 20 30 40 50 60 2-Theta - Scale PC29 - File: homer.raw - Type: 2Th/Th locked - Start: 10.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 5. s - Temp.: 25 °C (Room) - Time Started: 0 s - 2-Theta: 10.000 ° - Theta: 5.000 ° - Phi: 0.00 ° - Aux Operations: Import 14 calculated 14 15 experimental 140 130 120 110 100 Lin (Counts) 90 80 70 60 50 40 30 20 10 0 10 20 30 40 50 60 2-Theta - Scale PC41 - File: pc41.raw - Type: 2Th/Th locked - Start: 10.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 5. s - Temp.: 25 °C (Room) - Time Started: 2 s - 2-Theta: 10.000 ° - Theta: 5.000 ° - Phi: 0.00 ° - Aux1: Operations: Import 15 calculated 15 2000 1000 7 3000 10 20 30 d=2.0322,44.549 ° d=2.2720,39.636 ° d=2.4361,36.866 ° d=2.5754,34.808 ° d=2.5308,35.440 ° d=2.7350,32.717 ° d=2.8443,31.427 ° d=2.9438,30.338 ° d=3.0809,28.958 ° d=3.2027,27.834 ° d=3.3691,26.434 ° d=3.6251,24.537 ° d=3.8980,22.795 ° d=4.0559,21.896 ° d=4.6790,18.951 ° 4000 d=4.5169,19.638 ° d=4.9161,18.029 ° 8000 d=5.7088,15.509 ° d=7.5620,11.693 ° 5000 d=8.5580,10.328 ° 6000 d=11.7652,7.508 ° Lin (Counts) 16 experimental d=6.0376,14.660 ° 7000 0 brosnan mix? 5 to 60 deg 20s - File: brosnan.raw - Type: 2Th/Th locked - Start: 5.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 20. s - Temp.: 25 °C (Room) - Time Started: 2 s - 2-Theta: 5.000 ° - Theta: 2. Operations: Import 2-Theta - Scale 40 50 16 calculated 16 17 experimental 500 Lin (Counts) 400 300 200 100 0 10 20 30 40 50 60 2-Theta - Scale Pt(dto)2 2 isonipecotic acid - File: pc111b.RAW - Type: 2Th/Th locked - Start: 10.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 5. s - Temp.: 25 °C (Room) - Time Started: 2 s - 2-Theta: 10.000 ° - Theta: 5. Operations: Import 17 calculated 17 18 experimental Monty 140 130 120 110 100 Lin (Counts) 90 80 70 60 50 40 30 20 10 0 10 20 30 40 50 60 2-Theta - Scale PC41 - File: monty.raw - Type: 2Th/Th locked - Start: 10.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 5. s - Temp.: 25 °C (Room) - Time Started: 2 s - 2-Theta: 10.000 ° - Theta: 5.000 ° - Phi: 0.00 ° - Aux Operations: Import 18 calculated 18 d=8.6153,10.259 ° 19 experimental 2800 2700 2600 d=8 .615 3,10 .259 ° 2500 1300 1200 1100 1000 800 700 600 500 d=3.9025,22.768 ° d=4.5971,19.292 ° 900 400 300 d=2.0081,45.114 ° 1400 d=2.4462,36.709 ° 1500 d=2.6809,33.397 ° 1600 d=5.1517,17.199 ° Lin (Counts) 1700 d=4.2437,20.916 ° d=6.4615,13.693 ° 1800 d=5.3866,16.443 ° 1900 d=4.7981,18.477 ° 2000 d=2.5880,34.633 ° 2100 d=2.9941,29.816 ° 2200 d=3.5040,25.398 ° 2300 d=3.7566,23.665 ° d=4.3540,20.380 ° 2400 200 100 0 8 10 20 30 40 50 60 2-Theta - Scale heston 7.5 to 60 deg 10s - File: heston2.RAW - Type: 2Th/Th locked - Start: 7.500 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 10. s - Temp.: 25 °C (Room) - Time Started: 0 s - 2-Theta: 7.500 ° - Theta: 3.75 Operations: Import 19 calculated 19 20 experimental d=8.90156,9.929 ° d=6.71001,13.184 ° 1200 1100 800 700 600 500 400 300 d=4.22603,21.005 ° 900 d=5.55995,15.927 ° Lin (Counts) 1000 d=4.51427,19.650 ° d=2.96552,30.111 ° 1300 d=2.80581,31.869 ° 1400 d=3.85637,23.044 ° d=3.62170,24.560 ° d=3.47511,25.613 ° 1500 200 100 0 5 10 20 30 40 50 60 2-Theta - Scale tp520 8 sec 5 to 60 deg - File: tp520.raw - Type: 2Th/Th locked - Start: 5.000 ° - End: 60.000 ° - Step: 0.020 ° - Step time: 8. s - Temp.: 25 °C (Room) - Time Started: 2 s - 2-Theta: 5.000 ° - Theta: 2.500 ° - P Operations: Import 20 calculated 20
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