File name: Pandora32s1_GreenbeltMD_20230709_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20230710T214943.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20230709_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20230709 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20230709T112632.3Z 8590.476763 222 1 48.56 2 73.57 74.26 39.36 200.39 0.00 1 0.00 1 0 17 6.688e-02 5.834e-03 2.368e-02 1.668e-03 4.531285e-01 8.663554e-04 5.214585e-03 -6.000000e+00 3.894574e-02 232.71 -2.00 3.47 -2.00 319.46 0.00e+00 8.455160e-04 2.388601e-04 6.560256e-04 -6.000000e+00 1.733152e-03 289.63 -2.00 20.00 -2.00 318.65 0.00e+00 3.476 0.001 302.00 328.00 3 2.9038e+00 2.4810e-03 4.2011e-02 -6.0000e+00 9.7732e-02 -1.4835e-02 2.9330e-03 2.3966e-02 -6.0000e+00 1.0543e-01 -7.9106e-03 2.2471e-03 1.1712e-02 -6.0000e+00 6.2828e-02 -2.0879e-03 1.1749e-03 3.2627e-03 -6.0000e+00 2.6741e-02 5.4896e-04 -1.0659e-04 4.7192e-05 3.4292e-05 -6.0000e+00 1.7832e-03 1.8621e-03 -2.2676e-05 10 0 0 10 0 0 99.75 21.87 0.31 0.00186 0.00106 90 21 1 5 0 539.490 26.21 20.01 21.87 29.42 3.0 1022.63 -17564 -16576 -16094 -29660 -18520 -39721 -13875 -16829 -17475 -16309 -17920 -22605 -9810 -10843 373 -7230 -2262 -2838 3343 4331 -4952 3083 -1533 -859 -37 -1185 2435 -2405 -2433 -7013 -791 -2737 -1018 -207 -3847 -2134 -6274 -1213 -1298 -473 -547 -542 -1516 -259 1216 -146 -257 644 -1496 -1409 -209 2361 1884 1365 1810 414 1230 -556 502 303 1087 1796 1859 2731 932 540 277 -92 608 849 559 623 627 558 -113 -336 -1613 -1319 -1946 -1247 -1355 -1339 -1607 -1631 -440 -540 37 596 508 1137 640 616 -270 -230 14 -108 118 698 442 -104 -616 -1074 -1187 -491 -925 -972 -553 -479 46 579 435 632 482 434 36 -116 -233 2 -37 81 -95 49 375 244 559 165 -384 509 27 229 66 -172 -317 11 138 -83 10 240 150 12 -3 -174 -617 -299 -331 -347 -732 -375 -934 -289 -373 -450 -456 -527 -729 -322 -439 16 -404 -134 -182 217 295 -386 223 -119 -71 -3 -114 232 -234 -226 -679 -79 -293 -122 -27 -506 -264 -856 -184 -241 -105 -139 -148 -406 -70 356 -40 -72 179 -430 -416 -65 794 694 544 760 183 559 -260 228 135 489 861 920 1483 543 307 149 -49 339 540 400 442 450 415 -79 -213 -939 -731 -1138 -829 -1044 -1091 -1440 -1551 -413 -544 39 658 566 1231 654 581 -254 -211 13 -111 137 858 564 -136 -817 -1303 -1407 -574 -1099 -1237 -736 -635 65 882 685 1044 794 683 53 -169 -336 3 -56 130 -157 79 583 367 849 241 -537 702 40 360 112 -293 -560 21 256 -164 21 501 302 26 -6 -326 -1179 SS 20230709T113223.2Z 8590.480824 226 1 17.12 2 72.47 75.09 39.74 202.56 0.00 1 0.00 1 0 25 8.046e-02 9.039e-03 5.885e-02 4.807e-03 4.289518e-01 2.481837e-03 4.986552e-03 -6.000000e+00 4.682398e-02 232.71 -2.00 3.47 -2.00 319.21 0.00e+00 1.568027e-03 6.324863e-04 6.480616e-04 -6.000000e+00 2.084743e-03 289.63 -2.00 20.00 -2.00 318.38 0.00e+00 3.272 0.001 302.00 328.00 3 4.0381e+00 6.9972e-03 3.9636e-02 -6.0000e+00 1.1750e-01 2.2968e-03 8.1613e-03 2.2659e-02 -6.0000e+00 1.2678e-01 -1.4987e-02 6.0351e-03 1.1114e-02 -6.0000e+00 7.5547e-02 2.4558e-03 3.1770e-03 3.1914e-03 -6.0000e+00 3.2140e-02 2.1802e-04 -6.5804e-04 1.3598e-04 3.3808e-05 -6.0000e+00 2.1454e-03 3.2360e-03 -1.0194e-04 12 9 1 12 1 1 92.39 21.89 0.35 0.00324 -0.00171 6 5 1 5 0 2422.370 26.21 20.00 21.89 29.67 3.0 1024.22 19397 -19032 1107 14207 -52642 -16831 -30386 11036 -13395 -32693 -2344 -19413 1538 -9416 17423 -18051 14545 11219 470 12753 -9269 4006 -4558 -7344 3104 -7768 9259 -9105 4259 -10333 -1274 -1718 -5552 -106 -5952 -43 -10323 -4047 -2988 -93 582 -510 4061 -570 -701 3134 -585 2867 -2313 3251 1245 1962 2109 1164 2836 -1066 3147 -51 -18 16 -989 2497 2467 3290 971 -1361 -61 366 1308 314 -476 725 -179 1554 -540 -282 -1979 -1664 -1550 -2449 -1256 -1647 -491 -2165 -1546 -521 -648 919 440 983 821 524 62 -1202 1079 -76 1079 881 429 -173 -776 -585 -1724 425 -1486 -1460 -778 -527 497 472 357 1066 456 764 14 126 -397 -288 318 82 -234 -363 1430 328 -152 377 -709 1021 -459 862 -287 -488 -568 -496 218 161 396 -226 278 204 -249 -33 -512 319 -527 27 309 -1980 -425 -903 249 -433 -1379 -77 -772 57 -469 809 -1353 886 755 37 952 -886 340 -426 -747 308 -905 943 -1074 424 -1174 -144 -221 -833 -16 -948 -6 -1729 -735 -644 -23 161 -152 1213 -182 -226 989 -192 913 -777 1062 439 747 861 509 1281 -513 1500 -25 -9 7 -486 1264 1362 1956 611 -852 -36 212 786 211 -352 556 -140 1167 -392 -189 -1243 -1006 -968 -1710 -971 -1402 -443 -2065 -1539 -541 -705 1018 492 1080 863 522 58 -1121 1033 -80 1227 1090 568 -232 -1015 -717 -2010 488 -1815 -1873 -1026 -719 701 705 562 1723 739 1199 21 182 -569 -422 484 130 -379 -584 2232 503 -228 548 -1004 1425 -680 1350 -476 -835 -991 -890 406 310 776 -450 557 404 -483 -63 -942 SS 20230709T115442.8Z 8590.496329 238 1 48.87 2 68.25 78.24 41.55 210.50 0.00 1 0.00 1 0 17 2.099e-02 6.020e-03 6.263e-03 1.151e-03 3.543444e-01 5.910943e-04 4.138880e-03 -6.000000e+00 1.222153e-02 232.71 -2.00 3.47 -2.00 318.17 0.00e+00 5.994817e-04 1.093155e-04 3.004494e-04 -6.000000e+00 5.438046e-04 289.63 -2.00 20.00 -2.00 317.31 0.00e+00 2.674 0.000 302.00 328.00 3 3.2209e+00 1.6051e-03 3.2447e-02 -6.0000e+00 3.0669e-02 -1.2322e-02 1.8190e-03 1.8522e-02 -6.0000e+00 3.3082e-02 -4.9148e-03 1.1707e-03 8.9534e-03 -6.0000e+00 1.9715e-02 -1.8792e-03 6.0434e-04 2.4617e-03 -6.0000e+00 8.3926e-03 9.7092e-04 -2.3029e-05 3.2541e-05 2.5243e-05 -6.0000e+00 5.5949e-04 1.1457e-03 -8.7590e-06 11 1 0 11 8 0 99.94 21.96 0.37 0.00115 0.00097 71 17 1 5 0 688.180 26.32 20.00 21.96 30.29 3.0 1027.01 -6420 -6714 -2857 -5375 -8019 -7428 -8446 -2917 -4556 -3496 -6600 -8168 -372 -3575 893 -937 -408 865 -66 3744 -145 1227 870 744 959 -1023 1918 -1884 -474 -1423 56 580 198 182 -3563 -2820 -2852 -2692 -254 -496 28 -196 -1079 262 283 583 -695 276 -501 -1067 333 727 1099 905 810 757 1259 460 14 413 814 1279 1944 2050 1328 279 -158 -733 580 898 545 438 181 263 -18 -113 -847 -1793 -1419 -1130 -1307 -1216 -1816 -1850 -722 -489 53 381 494 865 669 129 -444 -125 24 131 329 782 359 -41 -414 -914 -1028 -494 -738 -1031 -677 -563 -179 538 462 680 487 343 -48 47 -78 -39 58 103 -119 237 424 356 358 298 -111 551 185 370 308 -244 -158 -50 -71 -71 45 158 184 -34 -148 -342 -650 -336 -408 -178 -339 -470 -402 -475 -175 -317 -262 -520 -666 -31 -369 104 -128 -55 122 -10 569 -24 199 143 130 180 -207 384 -378 -88 -261 11 124 47 47 -918 -686 -729 -795 -82 -192 12 -85 -491 121 130 270 -325 127 -230 -497 161 382 619 508 477 460 783 291 9 252 503 840 1395 1504 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