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[求助]
求助：由粉末衍射图推出晶体结构（index the powder XRD patterns）
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大家好! 我想从某种盐在175度下的XRD，大体推测其晶体结构，只要lattice space group就可，当然，能得出a，b，c值更好。非常感谢！ 下面是相应的XRD数据。同时也放在附件里面。 Angle Intensity 10.00526056 5058 10.05778169 5017 10.11030282 5139 10.16282394 5108 10.21534507 4987 10.2678662 5089 10.32038732 4851 10.37290845 5002 10.42542958 4841 10.47795071 5093 10.53047183 5023 10.58299296 5133 10.63551409 4969 10.68803521 4904 10.74055634 4942 10.79307747 4980 10.8455986 4887 10.89811972 4673 10.95064085 4873 11.00316198 4778 11.05568311 4754 11.10820423 4833 11.16072536 4826 11.21324649 4960 11.26576761 4694 11.31828874 4651 11.37080987 4769 11.423331 4669 11.47585212 4666 11.52837325 4574 11.58089438 4694 11.63341551 4538 11.68593663 4546 11.73845776 4746 11.79097889 4603 11.84350001 4670 11.89602114 4663 11.94854227 4588 12.0010634 4600 12.05358452 4500 12.10610565 4482 12.15862678 4511 12.21114791 4566 12.26366903 4525 12.31619016 4442 12.36871129 4436 12.42123241 4624 12.47375354 4474 12.52627467 4407 12.5787958 4482 12.63131692 4542 12.68383805 4608 12.73635918 4514 12.78888031 4454 12.84140143 4486 12.89392256 4401 12.94644369 4564 12.99896481 4504 13.05148594 4379 13.10400707 4498 13.1565282 4465 13.20904932 4366 13.26157045 4497 13.31409158 4546 13.36661271 4424 13.41913383 4366 13.47165496 4483 13.52417609 4506 13.57669721 4477 13.62921834 4383 13.68173947 4468 13.7342606 4350 13.78678172 4512 13.83930285 4520 13.89182398 4424 13.94434511 4463 13.99686623 4500 14.04938736 4339 14.10190849 4512 14.15442961 4455 14.20695074 4424 14.25947187 4393 14.311993 4381 14.36451412 4421 14.41703525 4361 14.46955638 4397 14.52207751 4412 14.57459863 4334 14.62711976 4415 14.67964089 4458 14.73216201 4406 14.78468314 4429 14.83720427 4508 14.8897254 4532 14.94224652 4553 14.99476765 4614 15.04728878 4604 15.09980991 4767 15.15233103 5292 15.20485216 7061 15.25737329 8192 15.30989441 7635 15.36241554 5357 15.41493667 4508 15.4674578 4297 15.51997892 4452 15.57250005 4434 15.62502118 4260 15.67754231 4202 15.73006343 4351 15.78258456 4402 15.83510569 4312 15.88762681 4400 15.94014794 4427 15.99266907 4266 16.0451902 4385 16.09771132 4277 16.15023245 4248 16.20275358 4295 16.25527471 4332 16.30779583 4301 16.36031696 4432 16.41283809 4172 16.46535921 4313 16.51788034 4362 16.57040147 4335 16.6229226 4352 16.67544372 4383 16.72796485 4325 16.78048598 4386 16.83300711 4240 16.88552823 4373 16.93804936 4399 16.99057049 4413 17.04309161 4358 17.09561274 4383 17.14813387 4375 17.200655 4323 17.25317612 4356 17.30569725 4262 17.35821838 4452 17.41073951 4490 17.46326063 4415 17.51578176 4320 17.56830289 4497 17.62082401 4539 17.67334514 4387 17.72586627 4388 17.7783874 4239 17.83090852 4476 17.88342965 4572 17.93595078 4414 17.98847191 4455 18.04099303 4256 18.09351416 4505 18.14603529 4428 18.19855641 4281 18.25107754 4464 18.30359867 4389 18.3561198 4444 18.40864092 4550 18.46116205 4355 18.51368318 4433 18.5662043 4417 18.61872543 4381 18.67124656 4416 18.72376769 4465 18.77628881 4425 18.82880994 4477 18.88133107 4455 18.9338522 4343 18.98637332 4484 19.03889445 4472 19.09141558 4431 19.1439367 4604 19.19645783 4440 19.24897896 4692 19.30150009 4686 19.35402121 4490 19.40654234 4543 19.45906347 4594 19.5115846 4591 19.56410572 4667 19.61662685 4670 19.66914798 4416 19.7216691 4529 19.77419023 4471 19.82671136 4574 19.87923249 4743 19.93175361 4639 19.98427474 4693 20.03679587 4647 20.089317 4713 20.14183812 4609 20.19435925 4578 20.24688038 4561 20.2994015 4555 20.35192263 4736 20.40444376 4764 20.45696489 4674 20.50948601 4527 20.56200714 4728 20.61452827 4736 20.6670494 4757 20.71957052 4813 20.77209165 4718 20.82461278 4846 20.8771339 4958 20.92965503 5064 20.98217616 5030 21.03469729 4917 21.08721841 5250 21.13973954 5278 21.19226067 5136 21.2447818 5429 21.29730292 5526 21.34982405 6058 21.40234518 6691 21.4548663 9042 21.50738743 13100 21.55990856 16933 21.61242969 28588 21.66495081 36331 21.71747194 23431 21.76999307 10059 21.8225142 5983 21.87503532 5786 21.92755645 5347 21.98007758 5227 22.0325987 5126 22.08511983 5083 22.13764096 5097 22.19016209 5017 22.24268321 4845 22.29520434 4852 22.34772547 4854 22.4002466 4789 22.45276772 4924 22.50528885 4977 22.55780998 4686 22.6103311 4774 22.66285223 4822 22.71537336 4767 22.76789449 4894 22.82041561 4728 22.87293674 4739 22.92545787 4774 22.977979 4644 23.03050012 4743 23.08302125 4756 23.13554238 4885 23.1880635 4720 23.24058463 4657 23.29310576 4710 23.34562689 4720 23.39814801 4671 23.45066914 4680 23.50319027 4655 23.5557114 4787 23.60823252 4622 23.66075365 4752 23.71327478 4756 23.7657959 4757 23.81831703 4677 23.87083816 4685 23.92335929 4578 23.97588041 4665 24.02840154 4598 24.08092267 4604 24.1334438 4663 24.18596492 4595 24.23848605 4641 24.29100718 4621 24.3435283 4529 24.39604943 4527 24.44857056 4579 24.50109169 4538 24.55361281 4491 24.60613394 4454 24.65865507 4551 24.7111762 4645 24.76369732 4645 24.81621845 4479 24.86873958 4612 24.9212607 4409 24.97378183 4684 25.02630296 4566 25.07882409 4580 25.13134521 4428 25.18386634 4667 25.23638747 4657 25.2889086 4432 25.34142972 4527 25.39395085 4432 25.44647198 4490 25.4989931 4511 25.55151423 4562 25.60403536 4597 25.65655649 4672 25.70907761 4452 25.76159874 4528 25.81411987 4377 25.866641 4379 25.91916212 4478 25.97168325 4632 26.02420438 4655 26.0767255 4491 26.12924663 4459 26.18176776 4442 26.23428889 4686 26.28681001 4677 26.33933114 4552 26.39185227 4457 26.44437339 4602 26.49689452 4614 26.54941565 4721 26.60193678 4868 26.6544579 4675 26.70697903 4513 26.75950016 4537 26.81202129 4588 26.86454241 4511 26.91706354 4455 26.96958467 4532 27.02210579 4480 27.07462692 4450 27.12714805 4644 27.17966918 4590 27.2321903 4467 27.28471143 4522 27.33723256 4491 27.38975369 4501 27.44227481 4456 27.49479594 4539 27.54731707 4489 27.59983819 4634 27.65235932 4382 27.70488045 4388 27.75740158 4470 27.8099227 4534 27.86244383 4395 27.91496496 4493 27.96748609 4588 28.02000721 4444 28.07252834 4535 28.12504947 4387 28.17757059 4389 28.23009172 4514 28.28261285 4484 28.33513398 4548 28.3876551 4543 28.44017623 4492 28.49269736 4426 28.54521849 4693 28.59773961 4578 28.65026074 4461 28.70278187 4431 28.75530299 4525 28.80782412 4625 28.86034525 4430 28.91286638 4504 28.9653875 4488 29.01790863 4616 29.07042976 4507 29.12295089 4454 29.17547201 4640 29.22799314 4520 29.28051427 4582 29.33303539 4401 29.38555652 4495 29.43807765 4420 29.49059878 4672 29.5431199 4605 29.59564103 4603 29.64816216 4454 29.70068329 4614 29.75320441 4479 29.80572554 4592 29.85824667 4585 29.91076779 4593 29.96328892 4681 30.01581005 4708 30.06833118 4533 30.1208523 4518 30.17337343 4641 30.22589456 4490 30.27841569 4503 30.33093681 4458 30.38345794 4524 30.43597907 4611 30.48850019 4602 30.54102132 4662 30.59354245 4682 30.64606358 4871 30.6985847 5433 30.75110583 5640 30.80362696 7017 30.85614809 6371 30.90866921 5733 30.96119034 4823 31.01371147 4471 31.06623259 4638 31.11875372 4592 31.17127485 4609 31.22379598 4653 31.2763171 4600 31.32883823 4549 31.38135936 4513 31.43388049 4516 31.48640161 4559 31.53892274 4628 31.59144387 4626 31.64396499 4562 31.69648612 4583 31.74900725 4547 31.80152838 4535 31.8540495 4496 31.90657063 4413 31.95909176 4522 32.01161289 4569 32.06413401 4483 32.11665514 4609 32.16917627 4495 32.22169739 4523 32.27421852 4461 32.32673965 4542 32.37926078 4594 32.4317819 4535 32.48430303 4366 32.53682416 4427 32.58934529 4538 32.64186641 4509 32.69438754 4609 32.74690867 4573 32.79942979 4625 32.85195092 4420 32.90447205 4450 32.95699318 4601 33.0095143 4360 33.06203543 4478 33.11455656 4525 33.16707769 4436 33.21959881 4559 33.27211994 4516 33.32464107 4698 33.37716219 4576 33.42968332 4623 33.48220445 4506 33.53472558 4592 33.5872467 4633 33.63976783 4467 33.69228896 4519 33.74481009 4645 33.79733121 4513 33.84985234 4463 33.90237347 4419 33.95489459 4473 34.00741572 4558 34.05993685 4580 34.11245798 4644 34.1649791 4513 34.21750023 4600 34.27002136 4499 34.32254249 4627 34.37506361 4545 34.42758474 4877 34.48010587 5089 34.53262699 5675 34.58514812 5671 34.63766925 5022 34.69019038 4872 34.7427115 4662 34.79523263 4540 34.84775376 4620 34.90027488 4550 34.95279601 4497 35.00531714 4565 35.05783827 4406 35.11035939 4503 35.16288052 4453 35.21540165 4637 35.26792278 4530 35.3204439 4581 35.37296503 4401 35.42548616 4521 35.47800728 4408 35.53052841 4409 35.58304954 4552 35.63557067 4321 35.68809179 4452 35.74061292 4599 35.79313405 4569 35.84565518 4360 35.8981763 4444 35.95069743 4444 36.00321856 4450 36.05573968 4447 36.10826081 4490 36.16078194 4483 36.21330307 4507 36.26582419 4437 36.31834532 4478 36.37086645 4450 36.42338758 4407 36.4759087 4514 36.52842983 4398 36.58095096 4485 36.63347208 4375 36.68599321 4454 36.73851434 4500 36.79103547 4675 36.84355659 4398 36.89607772 4564 36.94859885 4390 37.00111998 4545 37.0536411 4343 37.10616223 4600 37.15868336 4558 37.21120448 4502 37.26372561 4557 37.31624674 4540 37.36876787 4374 37.42128899 4520 37.47381012 4442 37.52633125 4534 37.57885238 4325 37.6313735 4497 37.68389463 4379 37.73641576 4423 37.78893688 4591 37.84145801 4621 37.89397914 4717 37.94650027 4885 37.99902139 4856 38.05154252 4729 38.10406365 4608 38.15658478 4450 38.2091059 4579 38.26162703 4491 38.31414816 4441 38.36666928 4505 38.41919041 4390 38.47171154 4367 38.52423267 4338 38.57675379 4330 38.62927492 4503 38.68179605 4333 38.73431718 4462 38.7868383 4342 38.83935943 4325 38.89188056 4275 38.94440168 4418 38.99692281 4497 39.04944394 4415 39.10196507 4284 39.15448619 4214 39.20700732 4420 39.25952845 4486 39.31204958 4443 39.3645707 4286 39.41709183 4308 39.46961296 4319 39.52213408 4411 39.57465521 4401 39.62717634 4274 39.67969747 4207 39.73221859 4364 39.78473972 4234 39.83726085 4295 39.88978198 4380 39.9423031 4481 39.99482423 4386 40.04734536 4276 40.09986648 4309 40.15238761 4409 40.20490874 4358 40.25742987 4403 40.30995099 4408 40.36247212 4326 40.41499325 4298 40.46751438 4174 40.5200355 4279 40.57255663 4179 40.62507776 4267 40.67759888 4480 40.73012001 4391 40.78264114 4219 40.83516227 4363 40.88768339 4261 40.94020452 4278 40.99272565 4284 41.04524678 4289 41.0977679 4265 41.15028903 4092 41.20281016 4149 41.25533128 4253 41.30785241 4360 41.36037354 4293 41.41289467 4229 41.46541579 4161 41.51793692 4140 41.57045805 4297 41.62297918 4275 41.6755003 4237 41.72802143 4064 41.78054256 4166 41.83306368 4251 41.88558481 4336 41.93810594 4268 41.99062707 4216 42.04314819 4158 42.09566932 4282 42.14819045 4235 42.20071158 4271 42.2532327 4224 42.30575383 4198 42.35827496 4303 42.41079608 4031 42.46331721 4156 42.51583834 4174 42.56835947 4302 42.62088059 4229 42.67340172 4220 42.72592285 4199 42.77844397 4235 42.8309651 4191 42.88348623 4187 42.93600736 4271 42.98852848 4147 43.04104961 4132 43.09357074 4125 43.14609187 4112 43.19861299 4187 43.25113412 4194 43.30365525 4095 43.35617637 4255 43.4086975 4047 43.46121863 4189 43.51373976 4175 43.56626088 4165 43.61878201 4075 43.67130314 4208 43.72382427 4301 43.77634539 4220 43.82886652 4258 43.88138765 4028 43.93390877 4071 43.9864299 4218 44.03895103 4123 44.09147216 4143 44.14399328 4173 44.19651441 4265 44.24903554 4260 44.30155667 4150 44.35407779 4060 44.40659892 4175 44.45912005 4345 44.51164117 4195 44.5641623 4148 44.61668343 4141 44.66920456 4202 44.72172568 4027 44.77424681 4264 44.82676794 4196 44.87928907 4273 44.93181019 4084 44.98433132 4141 45.03685245 4110 45.08937357 4089 45.1418947 4189 45.19441583 4104 45.24693696 4176 45.29945808 4127 45.35197921 4164 45.40450034 3969 45.45702147 4144 45.50954259 4287 45.56206372 4120 45.61458485 4167 45.66710597 4018 45.7196271 4041 45.77214823 4162 45.82466936 4160 45.87719048 4017 45.92971161 4142 45.98223274 4105 46.03475387 4189 46.08727499 4084 46.13979612 4128 46.19231725 4192 46.24483837 4164 46.2973595 3979 46.34988063 4233 46.40240176 4124 46.45492288 4221 46.50744401 4222 46.55996514 4084 46.61248627 4167 46.66500739 4202 46.71752852 4205 46.77004965 4228 46.82257077 4424 46.8750919 4351 46.92761303 4707 46.98013416 4936 47.03265528 4600 47.08517641 4492 47.13769754 4366 47.19021867 4299 47.24273979 4161 47.29526092 4169 47.34778205 4067 47.40030317 4068 47.4528243 4135 47.50534543 4112 47.55786656 4189 47.61038768 4147 47.66290881 4049 47.71542994 4148 47.76795107 4182 47.82047219 4091 47.87299332 4099 47.92551445 4022 47.97803557 4206 48.0305567 4292 48.08307783 4121 48.13559896 4099 48.18812008 4116 48.24064121 4152 48.29316234 4035 48.34568347 4123 48.39820459 4173 48.45072572 4222 48.50324685 4159 48.55576797 4094 48.6082891 4168 48.66081023 4087 48.71333136 4056 48.76585248 4139 48.81837361 4171 48.87089474 4115 48.92341587 4201 48.97593699 4145 49.02845812 4072 49.08097925 4072 49.13350037 4217 49.1860215 4026 49.23854263 4145 49.29106376 4120 49.34358488 4259 49.39610601 4237 49.44862714 4257 49.50114827 4030 49.55366939 4191 49.60619052 4288 49.65871165 4167 49.71123277 4312 49.7637539 4281 49.81627503 4308 49.86879616 4113 49.92131728 4222 49.97383841 3988 |
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