Hi Soyoung, On Fri, Oct 8, 2021 at 5:29 PM Soyoung Kim <soy...@lbl.gov> wrote:
> I see. Thank you for the quick reply. > > But would it be difficult to program it so that it will export properly, > e.g., with multiple energy axes? > Sorry for the slight delay, and I have two answers here: In general, it depends on what "export properly" means. If you save the project file, the original, differing energy arrays will be retained. If you export to a simple ASCII column file (which is pretty ubiquitous in scientific data), then each numeric row will be (or perhaps "is likely to be") interpreted as the same "x" axis (energy or perhaps time - the independent variable). So, if you have multiple sets of data with differing x/energy values, either you have missing values for some data sets or you have data in rows without a consistent x/energy, and possibly a different number of rows per column. Many programs will struggle with such data files. But.... Because when the data is plotted as a graph, it is hard to tell whether or > not the x-axes are the same... And if you are processing data from someone > else, you may not know whether or not they were collected with the same > energy step settings. > That's all true. And also: it looks to me that the exported data from this project looks like it is not interpolated as well as it could be. There is a definite shift in energy in the EXAFS region. If I read that project into Larch's XAS Viewer and export it as a CSV file it also interpolates all arrays onto a single energy grid (by default, the first data set) and it looks better to me (see attached file -- needs development version of XAS Viewer for this level of details). I'm not entirely sure where the problem is. It does look like one of the data sets has two energy points that are very close together as the data transitions from constant energy steps in the XANES region to wider steps in the EXAFS region. That should not cause a problem, but I think that I do recall that there were some such problems in the past. We've tried to make XAS Viewer a replacement for Athena and Artemis. I am aware of a few missing features, but there are also several features not in Athena. I can say that it would be easier for me to fix things with Larch/XAS Viewer than it is for me to fix things in Athena. I'm not sure that resolves the issue, but I hope it helps. --Matt
# 2 files saved Sun Oct 10 23:05:24 2021 # saving x array='energy', y array='norm' # data1: data1 # data2: data2 #------------------------------------------ # energy data1 data2 4815.000000 0.001453 0.001690 4825.000000 0.000822 0.000912 4835.000000 0.000460 0.000493 4845.000000 0.000130 0.000096 4855.000000 -0.000157 -0.000221 4865.000000 -0.000333 -0.000342 4875.000000 -0.000527 -0.000602 4885.000000 -0.000622 -0.000622 4895.000000 -0.000661 -0.000545 4905.000000 -0.000571 -0.000717 4915.000000 -0.000355 -0.000431 4925.000000 -0.000194 -0.000183 4925.250000 -0.000099 -0.000090 4925.500000 -0.000137 -0.000026 4925.750000 -0.000035 -0.000216 4926.000000 -0.000138 -0.000093 4926.250000 -0.000087 -0.000057 4926.500000 -0.000022 -0.000131 4926.750000 -0.000073 -0.000043 4927.000000 -0.000054 -0.000015 4927.250000 -0.000077 0.000022 4927.500000 -0.000022 -0.000022 4927.750000 -0.000031 -0.000060 4928.000000 0.000007 -0.000111 4928.250000 -0.000007 -0.000012 4928.500000 0.000024 0.000120 4928.750000 0.000129 0.000133 4929.000000 -0.000027 -0.000031 4929.250000 0.000021 0.000126 4929.500000 0.000002 0.000102 4929.750000 0.000175 0.000146 4930.000000 0.000181 0.000098 4930.250000 0.000120 0.000062 4930.500000 0.000099 0.000182 4930.750000 0.000149 0.000302 4931.000000 0.000140 0.000247 4931.250000 0.000149 0.000169 4931.500000 0.000265 0.000052 4931.750000 0.000187 0.000186 4932.000000 0.000163 0.000254 4932.250000 0.000161 0.000328 4932.500000 0.000337 0.000265 4932.750000 0.000267 0.000309 4933.000000 0.000241 0.000317 4933.250000 0.000353 0.000428 4933.500000 0.000349 0.000468 4933.750000 0.000313 0.000472 4934.000000 0.000357 0.000432 4934.250000 0.000413 0.000417 4934.500000 0.000348 0.000373 4934.750000 0.000435 0.000430 4935.000000 0.000430 0.000403 4935.250000 0.000445 0.000549 4935.500000 0.000517 0.000485 4935.750000 0.000496 0.000453 4936.000000 0.000496 0.000410 4936.250000 0.000550 0.000529 4936.500000 0.000471 0.000627 4936.750000 0.000556 0.000605 4937.000000 0.000647 0.000682 4937.250000 0.000623 0.000636 4937.500000 0.000681 0.000806 4937.750000 0.000688 0.000709 4938.000000 0.000734 0.000610 4938.250000 0.000726 0.000498 4938.500000 0.000648 0.000657 4938.750000 0.000665 0.000524 4939.000000 0.000747 0.000738 4939.250000 0.000834 0.000892 4939.500000 0.000810 0.000900 4939.750000 0.000880 0.000767 4940.000000 0.000882 0.000733 4940.250000 0.000857 0.000880 4940.500000 0.000916 0.000922 4940.750000 0.000795 0.000897 4941.000000 0.000997 0.000900 4941.250000 0.000984 0.001074 4941.500000 0.000967 0.000955 4941.750000 0.001034 0.001153 4942.000000 0.001049 0.001144 4942.250000 0.001020 0.001107 4942.500000 0.001220 0.001164 4942.750000 0.001179 0.001298 4943.000000 0.001101 0.001245 4943.250000 0.001172 0.001129 4943.500000 0.001260 0.001318 4943.750000 0.001257 0.001373 4944.000000 0.001305 0.001286 4944.250000 0.001348 0.001270 4944.500000 0.001342 0.001343 4944.750000 0.001357 0.001393 4945.000000 0.001455 0.001460 4945.250000 0.001530 0.001518 4945.500000 0.001404 0.001590 4945.750000 0.001453 0.001668 4946.000000 0.001406 0.001674 4946.250000 0.001609 0.001614 4946.500000 0.001730 0.001619 4946.750000 0.001681 0.001732 4947.000000 0.001614 0.001796 4947.250000 0.001793 0.001799 4947.500000 0.001775 0.001855 4947.750000 0.001792 0.001909 4948.000000 0.001844 0.001802 4948.250000 0.001876 0.001922 4948.500000 0.001923 0.001966 4948.750000 0.002081 0.001973 4949.000000 0.002016 0.001990 4949.250000 0.002111 0.002114 4949.500000 0.002182 0.002138 4949.750000 0.002201 0.002174 4950.000000 0.002221 0.002281 4950.250000 0.002234 0.002415 4950.500000 0.002330 0.002433 4950.750000 0.002396 0.002395 4951.000000 0.002328 0.002440 4951.250000 0.002639 0.002408 4951.500000 0.002586 0.002470 4951.750000 0.002633 0.002575 4952.000000 0.002640 0.002670 4952.250000 0.002706 0.002640 4952.500000 0.002707 0.002659 4952.750000 0.002827 0.002842 4953.000000 0.002797 0.002889 4953.250000 0.003092 0.002994 4953.500000 0.003047 0.003142 4953.750000 0.003124 0.003110 4954.000000 0.003136 0.003229 4954.250000 0.003226 0.003322 4954.500000 0.003207 0.003349 4954.750000 0.003424 0.003459 4955.000000 0.003493 0.003561 4955.250000 0.003616 0.003636 4955.500000 0.003808 0.003594 4955.750000 0.003791 0.003640 4956.000000 0.003900 0.003799 4956.250000 0.003858 0.004013 4956.500000 0.003953 0.004192 4956.750000 0.004030 0.004209 4957.000000 0.004225 0.004291 4957.250000 0.004219 0.004439 4957.500000 0.004204 0.004507 4957.750000 0.004385 0.004600 4958.000000 0.004530 0.004628 4958.250000 0.004741 0.004592 4958.500000 0.004704 0.004625 4958.750000 0.004868 0.004773 4959.000000 0.004913 0.005019 4959.250000 0.005172 0.005199 4959.500000 0.005317 0.005344 4959.750000 0.005358 0.005607 4960.000000 0.005571 0.005665 4960.250000 0.005620 0.005760 4960.500000 0.005834 0.005892 4960.750000 0.006013 0.006018 4961.000000 0.006032 0.006222 4961.250000 0.006314 0.006447 4961.500000 0.006440 0.006838 4961.750000 0.006492 0.006944 4962.000000 0.006932 0.007041 4962.250000 0.006954 0.007331 4962.500000 0.007162 0.007440 4962.750000 0.007442 0.007578 4963.000000 0.007678 0.007840 4963.250000 0.007712 0.008203 4963.500000 0.008029 0.008478 4963.750000 0.008492 0.008543 4964.000000 0.008639 0.008701 4964.250000 0.008955 0.008976 4964.500000 0.009274 0.009407 4964.750000 0.009347 0.009987 4965.000000 0.010156 0.010053 4965.250000 0.010327 0.010552 4965.500000 0.011058 0.011248 4965.750000 0.011439 0.011686 4966.000000 0.012198 0.012487 4966.250000 0.012790 0.013334 4966.500000 0.013697 0.014094 4966.750000 0.014862 0.015088 4967.000000 0.016426 0.017082 4967.250000 0.018482 0.019105 4967.500000 0.021666 0.022905 4967.750000 0.026391 0.028368 4968.000000 0.033144 0.035266 4968.250000 0.039725 0.040725 4968.500000 0.042985 0.042479 4968.750000 0.041279 0.042063 4969.000000 0.040151 0.041026 4969.250000 0.041179 0.043163 4969.500000 0.046618 0.049924 4969.750000 0.056904 0.062276 4970.000000 0.072962 0.080175 4970.250000 0.091402 0.097403 4970.500000 0.104574 0.107264 4970.750000 0.106855 0.107431 4971.000000 0.101218 0.101436 4971.250000 0.093799 0.094384 4971.500000 0.087702 0.088824 4971.750000 0.084726 0.086970 4972.000000 0.086323 0.088208 4972.250000 0.090865 0.094550 4972.500000 0.100314 0.104271 4972.750000 0.114653 0.118741 4973.000000 0.132015 0.136823 4973.250000 0.150417 0.153753 4973.500000 0.166592 0.167871 4973.750000 0.177594 0.179561 4974.000000 0.187009 0.187561 4974.250000 0.192129 0.193867 4974.500000 0.195652 0.195113 4974.750000 0.198034 0.198041 4975.000000 0.199582 0.199766 4975.250000 0.201633 0.201665 4975.500000 0.203600 0.204465 4975.750000 0.203261 0.207066 4976.000000 0.203931 0.208485 4976.250000 0.202300 0.206255 4976.500000 0.197167 0.203002 4976.750000 0.191353 0.196502 4977.000000 0.185614 0.189946 4977.250000 0.180077 0.184182 4977.500000 0.177184 0.182610 4977.750000 0.175832 0.182655 4978.000000 0.178466 0.184160 4978.250000 0.181379 0.187716 4978.500000 0.186755 0.191066 4978.750000 0.189461 0.196202 4979.000000 0.193961 0.201859 4979.250000 0.200494 0.207976 4979.500000 0.211165 0.216515 4979.750000 0.225818 0.230145 4980.000000 0.242898 0.246783 4980.250000 0.266058 0.269381 4980.500000 0.295359 0.296706 4980.750000 0.331639 0.332479 4981.000000 0.378151 0.376657 4981.250000 0.431149 0.429632 4981.500000 0.489269 0.485397 4981.750000 0.555342 0.549249 4982.000000 0.624130 0.620654 4982.250000 0.704773 0.696922 4982.500000 0.794745 0.779671 4982.750000 0.890771 0.870870 4983.000000 0.988687 0.965075 4983.250000 1.083623 1.058430 4983.500000 1.156835 1.133740 4983.750000 1.210460 1.191332 4984.000000 1.236189 1.223209 4984.250000 1.240303 1.230633 4984.500000 1.233292 1.224796 4984.750000 1.218453 1.214933 4985.000000 1.203697 1.200210 4985.250000 1.188912 1.188697 4985.500000 1.184153 1.182525 4985.750000 1.184564 1.184339 4986.000000 1.184266 1.185831 4986.250000 1.185693 1.188858 4986.500000 1.186378 1.193116 4986.750000 1.186176 1.188866 4987.000000 1.181176 1.185791 4987.250000 1.170110 1.173992 4987.500000 1.159542 1.168253 4987.750000 1.149338 1.153614 4988.000000 1.137646 1.145073 4988.250000 1.138567 1.145115 4988.500000 1.141873 1.150012 4988.750000 1.148495 1.156106 4989.000000 1.158625 1.164941 4989.250000 1.167665 1.174435 4989.500000 1.177828 1.182755 4989.750000 1.183576 1.188620 4990.000000 1.185351 1.193609 4990.250000 1.192517 1.195061 4990.500000 1.191290 1.201649 4990.750000 1.195176 1.206587 4991.000000 1.202931 1.209886 4991.250000 1.213853 1.218571 4991.500000 1.223589 1.230165 4991.750000 1.236116 1.245620 4992.000000 1.252810 1.257408 4992.250000 1.263624 1.264051 4992.500000 1.275914 1.276932 4992.750000 1.277993 1.278019 4993.000000 1.282372 1.280775 4993.250000 1.279706 1.281474 4993.500000 1.282688 1.283336 4993.750000 1.285372 1.285449 4994.000000 1.294623 1.287970 4994.250000 1.301552 1.294051 4994.500000 1.306363 1.306533 4994.750000 1.310381 1.309040 4995.000000 1.316987 1.314763 4995.250000 1.314073 1.316346 4995.500000 1.317026 1.314433 4995.750000 1.313664 1.312488 4996.000000 1.306180 1.306698 4996.250000 1.298000 1.300540 4996.500000 1.290931 1.288712 4996.750000 1.287611 1.282459 4997.000000 1.282549 1.279987 4997.250000 1.279485 1.279788 4997.500000 1.280610 1.278493 4997.750000 1.280441 1.278047 4998.000000 1.279828 1.282592 4998.250000 1.281354 1.281717 4998.500000 1.278942 1.285636 4998.750000 1.280609 1.282152 4999.000000 1.275269 1.277082 4999.250000 1.265020 1.271655 4999.500000 1.259606 1.263347 4999.750000 1.250315 1.253110 5000.000000 1.242255 1.246407 5000.250000 1.231571 1.235207 5000.500000 1.221259 1.221058 5000.750000 1.210347 1.212245 5001.000000 1.202171 1.199904 5001.250000 1.190164 1.191166 5001.500000 1.186367 1.187332 5001.750000 1.177930 1.181159 5002.000000 1.170944 1.172091 5002.250000 1.164534 1.168476 5002.500000 1.163788 1.165384 5002.750000 1.160688 1.162320 5003.000000 1.159482 1.161947 5003.250000 1.155991 1.163362 5003.500000 1.156033 1.162503 5003.750000 1.158389 1.161345 5004.000000 1.157175 1.160357 5004.250000 1.160290 1.164223 5004.500000 1.160776 1.163058 5004.750000 1.156804 1.162423 5005.000000 1.158165 1.162899 5005.250000 1.154674 1.160958 5005.500000 1.156193 1.159071 5005.750000 1.151267 1.156178 5006.000000 1.148556 1.153835 5006.250000 1.142993 1.148895 5006.500000 1.138238 1.140594 5006.750000 1.130543 1.135356 5007.000000 1.128230 1.131546 5007.250000 1.120846 1.125800 5007.500000 1.115718 1.121032 5007.750000 1.107824 1.113012 5008.000000 1.104822 1.108988 5008.250000 1.100216 1.103270 5008.500000 1.094620 1.099124 5008.750000 1.091983 1.094072 5009.000000 1.088704 1.091872 5009.250000 1.083800 1.086714 5009.500000 1.082528 1.085389 5009.560000 1.083091 1.082657 5010.880000 1.065343 1.067249 5012.210000 1.047499 1.050585 5013.560000 1.030734 1.033208 5014.920000 1.000215 1.003655 5016.320000 0.971959 0.977629 5017.720000 0.961939 0.965898 5019.150000 0.957926 0.961598 5020.590000 0.953640 0.955788 5022.070000 0.935997 0.939436 5023.550000 0.919296 0.925306 5025.040000 0.920254 0.924379 5026.570000 0.922464 0.929095 5028.110000 0.927932 0.931644 5029.670000 0.927961 0.934370 5031.250000 0.927288 0.932513 5032.850000 0.923559 0.928799 5034.470000 0.919847 0.925915 5036.110000 0.927482 0.933477 5037.750000 0.952686 0.957106 5039.440000 0.985564 0.990278 5041.130000 1.013429 1.015202 5042.840000 1.026533 1.025290 5044.580000 1.029984 1.028985 5046.320000 1.032680 1.033302 5048.090000 1.038311 1.040081 5049.880000 1.050282 1.054137 5051.690000 1.074202 1.074930 5053.510000 1.098561 1.101514 5055.360000 1.121946 1.123338 5057.230000 1.144340 1.146828 5059.110000 1.159469 1.161977 5061.010000 1.158037 1.156873 5062.940000 1.130371 1.131071 5064.880000 1.088980 1.090272 5066.840000 1.042141 1.048403 5068.820000 1.017630 1.022183 5070.820000 1.014211 1.020262 5072.830000 1.030710 1.037319 5074.860000 1.062796 1.069423 5076.930000 1.091763 1.097817 5079.000000 1.108046 1.113549 5081.090000 1.107068 1.110673 5083.200000 1.090748 1.099266 5085.340000 1.073105 1.077283 5087.480000 1.050266 1.059377 5089.650000 1.036553 1.041511 5091.840000 1.029234 1.036678 5094.050000 1.030717 1.036964 5096.280000 1.034041 1.039340 5098.530000 1.031223 1.037376 5100.790000 1.015250 1.026129 5103.070000 0.999479 1.009411 5105.380000 0.988306 0.993643 5107.700000 0.977788 0.984855 5110.040000 0.979870 0.986585 5112.400000 0.986982 0.992348 5114.780000 1.002179 1.007068 5117.170000 1.012773 1.017326 5119.600000 1.026136 1.029328 5122.030000 1.035884 1.043435 5124.490000 1.054766 1.060632 5126.960000 1.075215 1.081985 5129.460000 1.097608 1.105229 5131.980000 1.109618 1.116637 5134.500000 1.104019 1.110883 5137.050000 1.096861 1.101733 5139.630000 1.082865 1.090471 5142.210000 1.074777 1.081384 5144.820000 1.064612 1.066948 5147.450000 1.056677 1.064361 5150.090000 1.052967 1.063199 5152.760000 1.054688 1.059716 5155.440000 1.051529 1.057363 5158.140000 1.047561 1.052620 5160.870000 1.044339 1.047129 5163.610000 1.046540 1.055105 5166.370000 1.061462 1.063756 5169.150000 1.071371 1.072434 5171.950000 1.079091 1.081043 5174.770000 1.083642 1.084500 5177.600000 1.093359 1.091005 5180.450000 1.100190 1.100382 5183.330000 1.096282 1.098317 5186.230000 1.086175 1.087215 5189.140000 1.077241 1.078887 5192.060000 1.068987 1.070827 5195.010000 1.068756 1.069321 5197.990000 1.061533 1.066033 5200.980000 1.055024 1.059298 5203.990000 1.049667 1.056102 5207.020000 1.044019 1.047870 5210.060000 1.042361 1.044323 5213.130000 1.042418 1.046267 5216.210000 1.039834 1.045857 5219.320000 1.047507 1.051552 5222.430000 1.053029 1.058068 5225.580000 1.059761 1.066377 5228.740000 1.071435 1.077162 5231.910000 1.093014 1.093642 5235.110000 1.100566 1.106811 5238.330000 1.106990 1.113637 5241.560000 1.101941 1.108340 5244.820000 1.095872 1.100801 5248.100000 1.088824 1.093613 5251.390000 1.079383 1.089381 5254.710000 1.083052 1.089139 5258.040000 1.083645 1.090625 5261.390000 1.087318 1.091903 5264.750000 1.089266 1.094943 5268.150000 1.090049 1.094819 5271.550000 1.089679 1.094160 5274.980000 1.091626 1.094172 5278.430000 1.095107 1.095577 5281.890000 1.094155 1.099194 5285.370000 1.096098 1.101734 5288.880000 1.098069 1.102445 5292.410000 1.099708 1.106090 5295.940000 1.098710 1.110486 5299.500000 1.102848 1.110414 5303.080000 1.103969 1.112412 5306.680000 1.106975 1.115416 5310.300000 1.104649 1.115360 5313.930000 1.103595 1.114850 5317.590000 1.102985 1.111452 5321.270000 1.106762 1.112666 5324.960000 1.103597 1.110196 5328.670000 1.102837 1.111308 5332.410000 1.103271 1.112698 5336.150000 1.104546 1.113945 5339.930000 1.103665 1.116812 5343.720000 1.105823 1.118463 5347.530000 1.111940 1.120968 5351.350000 1.114238 1.124358 5355.200000 1.117080 1.128741 5359.060000 1.117964 1.128180 5362.950000 1.118018 1.125111 5366.850000 1.115837 1.129143 5370.770000 1.117981 1.131574 5374.720000 1.119581 1.134947 5378.670000 1.124282 1.137974 5382.650000 1.123585 1.137468 5386.650000 1.124853 1.135226 5390.670000 1.124441 1.134493 5394.710000 1.125447 1.137789 5398.760000 1.128223 1.142455 5402.830000 1.133031 1.144067 5406.930000 1.137270 1.147403 5411.050000 1.143694 1.151313 5415.180000 1.145370 1.155413 5419.330000 1.145657 1.156402 5423.490000 1.144456 1.153973 5427.680000 1.145003 1.149349 5431.900000 1.146264 1.151338 5436.120000 1.145493 1.150877 5440.370000 1.142552 1.152078 5444.630000 1.143012 1.152982 5448.910000 1.144852 1.150518 5453.220000 1.147015 1.157633 5457.540000 1.147727 1.158324
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit