[Ifeffit] Another ATHENA error
Norbert Weiher
norbertweiher at web.de
Wed Jan 12 08:38:17 CST 2005
Hi Bruce,
just to throw another one in :)
ATHENA has the following problem - I make a linear combination fit of two
spectra and put the result in a group. Then I want to export it using the
"save groups as..." and.... just get zero's in the file. Using the IFEFFIT
buffer and saving the corresponding array with the write_data() command works
fine - maybe there's a renaming bug of the corresponding array?
Furthermore, the fit looks shifted as soon as written to an array. When I fit
(the 3rd spectrum in the example with a LC of the first two) everything looks
nice. The saved LC is, however, shifted compared to the one seen during the
fit. Furthermore, I cannot change any parameter of this (LC) group...
Cheers,
Norbert
--
Dr. rer. nat. Norbert Weiher (norbert.weiher at manchester.ac.uk)
School of Chemical Engineering and Analytical Science
Sackville Street, Manchester, M60 1QD - Phone: +44 161 306 4468
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# Athena multicolumn data file -- Athena version 0.8.035
# This file contains normalized mu(E) from:
# _2209177_dat (column 2)
# _2209187_dat (column 3)
# _2209254_dat (column 4)
# _2209254_dat lcf (column 5)
#------------------------
# energy _2209177_dat _2209187_dat _2209254_dat _2209254_dat_lcf
11761.800 0.12277272E-02 0.32688329E-02 -0.28746324E-02 0.0000000
11761.900 0.98942275E-03 0.29436286E-02 -0.27486011E-02 0.0000000
11765.700 0.11396832E-02 0.14838899E-02 0.61620800E-03 0.0000000
11771.600 0.86694429E-03 0.16584735E-03 -0.42602294E-04 0.0000000
11772.600 0.26901881E-03 0.48289022E-03 -0.10693037E-03 0.0000000
11777.300 0.38290186E-03 0.50145385E-03 0.13071917E-03 0.0000000
11783.200 -0.34011124E-03 0.34992229E-03 0.70186137E-03 0.0000000
11790.700 -0.19347478E-03 -0.28591781E-04 0.34677293E-03 0.0000000
11799.200 -0.27140460E-03 -0.58318627E-03 -0.59305935E-03 0.0000000
11807.900 -0.13546370E-02 -0.74960919E-03 -0.88401267E-03 0.0000000
11817.500 -0.49883477E-03 -0.10547765E-02 -0.71666202E-03 0.0000000
11826.900 0.25431722E-03 -0.62351829E-03 0.26396061E-03 0.0000000
11836.700 -0.42014198E-03 0.11661066E-03 0.57336868E-03 0.0000000
11846.700 0.13054222E-02 0.13810931E-02 0.10008569E-02 0.0000000
11856.300 0.33688370E-02 0.31915687E-02 0.23363390E-02 0.0000000
11866.400 0.58993169E-02 0.52057006E-02 0.54610019E-02 0.0000000
11876.100 0.10240563E-01 0.10252246E-01 0.10668193E-01 0.0000000
11886.000 0.20860040E-01 0.18076367E-01 0.16573040E-01 0.0000000
11896.200 0.41503067E-01 0.34505945E-01 0.33890500E-01 0.0000000
11897.100 0.44624010E-01 0.39569757E-01 0.35998527E-01 0.0000000
11897.800 0.47063951E-01 0.42358396E-01 0.37606123E-01 0.0000000
11898.600 0.49533504E-01 0.43985911E-01 0.39394000E-01 0.0000000
11899.300 0.51503508E-01 0.46303664E-01 0.40903071E-01 0.0000000
11900.100 0.57998510E-01 0.48332639E-01 0.42550019E-01 0.0000000
11900.900 0.61672408E-01 0.52540825E-01 0.43544445E-01 0.0000000
11901.700 0.65395408E-01 0.58211927E-01 0.47980401E-01 0.0000000
11902.400 0.67100223E-01 0.60265599E-01 0.51885760E-01 0.0000000
11903.300 0.76377831E-01 0.66058469E-01 0.55363877E-01 0.0000000
11904.000 0.78336432E-01 0.71314673E-01 0.58932891E-01 0.0000000
11904.900 0.87724081E-01 0.76824724E-01 0.62991958E-01 0.0000000
11905.600 0.95235764E-01 0.80463392E-01 0.68312046E-01 0.0000000
11906.500 0.10083552 0.89214252E-01 0.74285127E-01 0.0000000
11907.300 0.11340199 0.98408240E-01 0.79229631E-01 0.0000000
11908.200 0.12666452 0.11037109 0.87567940E-01 0.0000000
11909.000 0.13313776 0.11978488 0.95336680E-01 0.0000000
11909.800 0.14804310 0.13576115 0.10374058 0.0000000
11910.500 0.16825360 0.15140321 0.11372616 0.0000000
11911.300 0.18989204 0.16983805 0.12712173 0.0000000
11912.200 0.21305205 0.19671931 0.14385162 0.0000000
11913.100 0.24643744 0.23009234 0.16649956 0.0000000
11914.100 0.29160379 0.27101419 0.18843595 0.0000000
11915.000 0.34945333 0.32417785 0.22449500 0.0000000
11915.900 0.41694238 0.39263545 0.26324694 0.0000000
11916.800 0.49916665 0.47920269 0.31429190 0.0000000
11917.700 0.59967263 0.58167865 0.38488756 0.0000000
11918.400 0.70974124 0.66223876 0.45155411 0.0000000
11919.200 0.83833917 0.74094633 0.52867690 0.0000000
11919.900 0.96814170 0.80307544 0.59731331 0.0000000
11920.600 1.0878763 0.85561149 0.66494292 0.0000000
11921.400 1.1755440 0.87914824 0.73164269 0.0000000
11922.100 1.2302799 0.89218361 0.77945007 0.0000000
11922.800 1.2399971 0.89246405 0.81438869 0.0000000
11923.600 1.2093477 0.88370560 0.83410743 0.0000000
11924.300 1.1635993 0.88254357 0.84942923 0.0000000
11925.000 1.1039733 0.87816000 0.86166682 0.0000000
11925.800 1.0575730 0.87750776 0.86345611 0.0000000
11926.600 1.0138447 0.87290405 0.86730311 0.0000000
11927.400 0.97833933 0.87999783 0.87225524 0.0000000
11928.100 0.94762587 0.88730795 0.88110623 0.0000000
11928.900 0.92706277 0.89803057 0.89129084 0.0000000
11929.800 0.90809565 0.90294222 0.89365940 0.0000000
11930.600 0.90270174 0.91788807 0.90663002 0.0000000
11931.400 0.89028623 0.92023481 0.92083306 0.0000000
11932.200 0.88710795 0.92401226 0.92586617 0.0000000
11933.000 0.88344576 0.92597882 0.93433377 0.0000000
11933.800 0.89480403 0.93149104 0.94439488 0.0000000
11934.600 0.90111104 0.93731697 0.95108814 0.0000000
11935.400 0.91647650 0.94370388 0.95146471 0.0000000
11936.200 0.91797464 0.94771021 0.95425242 0.0000000
11937.000 0.92292415 0.95324998 0.96601308 0.0000000
11937.900 0.93080524 0.96056215 0.96558538 0.0000000
11938.700 0.93932661 0.95833882 0.96899615 0.0000000
11939.500 0.95106178 0.97176109 0.97390813 0.0000000
11940.400 0.95141008 0.97898858 0.97694669 0.0000000
11941.100 0.95549915 0.98501146 0.98331590 0.0000000
11942.000 0.96729818 0.99287139 0.99032484 0.0000000
11942.800 0.97056462 1.0010289 0.99677412 0.0000000
11943.600 0.97763178 1.0079263 1.0025242 0.0000000
11944.400 0.98708618 1.0188839 1.0107841 0.0000000
11945.200 0.98472786 1.0194292 1.0183721 0.0000000
11945.900 0.99928514 1.0202889 1.0249890 0.0000000
11946.600 0.99831248 1.0263257 1.0279363 0.0000000
11947.400 0.99657879 1.0259718 1.0353681 0.0000000
11948.200 0.99933608 1.0194207 1.0278731 0.0000000
11948.900 1.0092131 1.0185966 1.0288927 0.0000000
11949.700 1.0097773 1.0220561 1.0196210 0.0000000
11950.500 1.0161699 1.0160936 1.0230636 0.0000000
11951.300 1.0126628 1.0166529 1.0126904 0.0000000
11952.000 1.0168317 1.0148220 1.0172909 0.0000000
11952.900 1.0211068 1.0056513 1.0073071 0.0000000
11953.600 1.0280335 1.0091938 1.0084802 0.0000000
11954.500 1.0246418 1.0113100 1.0066671 0.0000000
11955.300 1.0369166 1.0085637 1.0075768 0.0000000
11956.100 1.0401300 1.0049367 1.0028073 0.0000000
11956.900 1.0431677 1.0109377 1.0020037 0.0000000
11957.600 1.0449494 1.0035563 1.0070405 0.0000000
11958.500 1.0546719 1.0136832 1.0030741 0.0000000
11959.300 1.0670787 1.0128696 1.0043760 0.0000000
11960.100 1.0602961 1.0166119 0.99957502 0.0000000
11960.900 1.0579953 1.0204260 1.0037850 0.0000000
11961.800 1.0641821 1.0245289 1.0025951 0.0000000
11962.600 1.0734765 1.0194124 1.0068186 0.0000000
11963.400 1.0674145 1.0197987 1.0104480 0.0000000
11964.200 1.0759015 1.0270970 1.0117984 0.0000000
11965.100 1.0698657 1.0224411 1.0142668 0.0000000
11965.900 1.0733434 1.0266975 1.0114160 0.0000000
11966.700 1.0682145 1.0210760 1.0186542 0.0000000
11967.400 1.0709698 1.0241795 1.0259130 0.0000000
11968.200 1.0607106 1.0251530 1.0192991 0.0000000
11969.000 1.0606549 1.0280146 1.0225542 0.0000000
11969.900 1.0571792 1.0238036 1.0293027 0.0000000
11970.600 1.0566007 1.0261676 1.0290288 0.0000000
11971.300 1.0571766 1.0315521 1.0268708 0.0000000
11972.100 1.0572132 1.0300236 1.0352168 0.0000000
11972.800 1.0440117 1.0240183 1.0248126 0.0000000
11973.600 1.0459313 1.0288558 1.0227517 0.0000000
11974.400 1.0399973 1.0240223 1.0131505 0.0000000
11975.100 1.0404269 1.0176884 1.0253491 0.0000000
11975.900 1.0328056 1.0200922 1.0244899 0.0000000
11976.600 1.0368186 1.0210154 1.0203226 0.0000000
11977.400 1.0287197 1.0083822 1.0217684 0.0000000
11978.200 1.0251135 1.0067878 1.0174455 0.0000000
11979.000 1.0175122 0.99963673 1.0161918 0.0000000
11979.800 0.99746290 1.0022311 1.0038599 0.0000000
11980.600 0.99471993 0.99261572 1.0026928 0.0000000
11981.500 0.98891475 0.98813207 0.99455461 0.0000000
11982.200 0.98140436 0.99030779 0.99007527 0.0000000
11983.000 0.98278938 0.98780332 0.99306394 0.0000000
11983.900 0.97813278 0.98489653 0.99088399 0.0000000
11984.600 0.96242264 0.98645295 0.99149349 0.0000000
11985.400 0.96063647 0.98578184 0.99041229 0.0000000
11986.200 0.95432691 0.97785672 0.98283645 0.0000000
11987.000 0.94958732 0.97726259 0.97887259 0.0000000
11987.900 0.94428580 0.97928011 0.97776343 0.0000000
11988.700 0.94636918 0.97489216 0.97486490 0.0000000
11989.500 0.94070735 0.97190324 0.97639564 0.0000000
11990.300 0.94406045 0.96992088 0.97339865 0.0000000
11991.100 0.92992326 0.96828060 0.97176169 0.0000000
11991.900 0.92904807 0.97394774 0.96804384 0.0000000
11992.800 0.92218419 0.96420793 0.96918428 0.0000000
11993.700 0.92135484 0.96770846 0.96638791 0.0000000
11994.400 0.92290415 0.97048154 0.96957161 0.0000000
11995.100 0.91866850 0.96551426 0.96598042 0.0000000
11995.900 0.92009493 0.96543512 0.96022298 0.0000000
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