File name: Pandora177s1_WestportCT_20231015_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T033719.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231015_L1_smca1c7d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20231015 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 359 Nominal wavelengths inside fitting window [nm]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20231015T134127.7Z 8688.570459 122 1 27.39 2 64.27 129.78 73.51 125.05 0.00 1 0.00 1 0 25 1.918e-02 1.093e-02 7.230e-03 1.767e-03 2.816498e-01 9.178470e-04 3.406897e-03 -6.000000e+00 1.138131e-02 225.93 -2.00 3.51 -2.00 317.91 0.00e+00 1.430643e-03 1.574007e-04 6.535933e-04 -6.000000e+00 5.062201e-04 284.17 -2.00 20.00 -2.00 317.17 0.00e+00 2.289 0.000 302.00 328.00 3 3.5740e+00 2.4319e-03 2.6963e-02 -6.0000e+00 2.8134e-02 3.6809e-02 2.7485e-03 1.4391e-02 -6.0000e+00 3.0431e-02 -7.1106e-05 1.7200e-03 7.1717e-03 -6.0000e+00 1.8169e-02 -8.8009e-03 8.7519e-04 2.1301e-03 -6.0000e+00 7.8284e-03 1.0647e-03 -9.5250e-05 5.4867e-05 2.3474e-05 -6.0000e+00 5.6390e-04 -8.8273e-03 0.0000e+00 12 9 9 12 1 1 97.56 22.81 0.33 -0.00883 -0.00954 27 12 1 5 0 977.940 26.21 20.00 22.81 15.92 22.0 954.82 -1230 -2821 -163 -5315 -4730 -3936 -5686 86 -2263 -3761 -7282 -3203 -3667 -1789 354 -3384 851 -257 1963 2123 1070 1235 884 2410 1567 -401 -1454 -1212 -2345 -191 1004 1149 1210 -4078 -6530 -4999 -2452 -1390 -49 -793 -734 -627 501 376 1011 922 -697 150 -634 1165 861 1150 1288 1197 837 1024 335 -720 -467 -171 1803 2553 2991 2239 137 -560 -1670 -597 1736 1849 810 1607 1026 1218 -104 -2035 -2293 -3467 -1256 -2585 -2348 -2828 -2741 -1594 -263 309 983 1215 1391 1508 371 -618 -1563 -790 -1059 -373 728 1361 487 -551 -1450 -1986 -864 -232 -1655 -1604 -925 -574 716 1349 1195 880 413 -48 -237 -492 222 254 1171 415 509 685 1204 851 519 -386 -863 649 -269 -399 -987 -1097 -585 24 396 61 612 651 541 79 -494 -1447 -98 -247 -14 -449 -363 -291 -457 7 -216 -376 -761 -341 -446 -249 55 -594 151 -48 375 418 216 249 183 518 359 -96 -344 -272 -511 -41 228 286 321 -1145 -1807 -1365 -721 -480 -20 -334 -335 -300 243 184 493 448 -339 71 -301 554 436 622 738 716 517 646 215 -463 -295 -109 1171 1779 2243 1770 109 -419 -1182 -420 1302 1543 735 1490 946 1070 -86 -1538 -1596 -2398 -912 -2142 -2174 -2872 -2715 -1650 -287 358 1187 1492 1684 1743 402 -616 -1602 -805 -1065 -412 883 1788 673 -751 -1848 -2355 -991 -277 -2139 -2192 -1313 -785 1027 2047 1891 1396 630 -68 -340 -678 307 369 1661 623 772 1018 1721 1270 741 -529 -1151 876 -393 -625 -1497 -1706 -933 41 693 112 1145 1144 1022 146 -885 -2524 SS 20231015T135856.3Z 8688.582597 134 1 38.29 2 61.82 133.77 70.99 128.53 0.00 1 0.00 1 0 17 1.818e-02 1.081e-02 7.774e-03 1.921e-03 2.624397e-01 9.982998e-04 3.170450e-03 -6.000000e+00 1.078548e-02 225.93 -2.00 3.51 -2.00 317.92 0.00e+00 1.759927e-03 1.713726e-04 6.104943e-04 -6.000000e+00 4.796315e-04 284.16 -2.00 20.00 -2.00 317.19 0.00e+00 2.107 0.000 302.00 328.00 3 3.9763e+00 2.6531e-03 2.4903e-02 -6.0000e+00 2.6662e-02 3.7621e-02 2.9948e-03 1.3369e-02 -6.0000e+00 2.8837e-02 7.0467e-04 1.8705e-03 6.7410e-03 -6.0000e+00 1.7217e-02 -9.5238e-03 9.5241e-04 2.1351e-03 -6.0000e+00 7.4196e-03 8.7464e-04 1.9299e-05 5.9870e-05 2.2795e-05 -6.0000e+00 5.3428e-04 -9.9292e-03 0.0000e+00 12 9 9 12 1 1 99.95 22.83 0.37 -0.00993 -0.00978 41 12 1 5 0 911.480 26.21 20.00 22.83 16.43 21.8 957.15 264 -2022 -856 -3571 -3324 -2566 -255 53 -3145 -4168 -7515 -6679 -2531 1348 191 -672 -540 1439 2393 537 746 283 1771 441 2468 -439 -2478 -294 -1923 1435 833 2166 479 -3128 -6788 -4701 -3242 -1946 385 -935 -495 -370 283 126 677 616 -127 320 -1101 706 746 1337 753 1168 740 1179 56 -828 -307 -342 1712 2817 2988 1949 383 -924 -1151 -329 1515 1387 858 1356 989 1326 238 -1559 -2532 -3529 -1790 -2461 -2184 -2706 -2599 -1474 -97 432 1155 1361 1387 1189 509 -979 -1585 -452 -613 -533 801 1217 564 -661 -1207 -2266 -822 -481 -1664 -1635 -1112 -613 575 1310 1385 1132 541 -235 -247 -758 178 -141 766 424 904 689 1131 673 628 -490 -790 270 -311 -221 -794 -1199 -617 282 315 220 656 688 542 -48 -584 -1471 22 -183 -77 -307 -260 -193 -20 5 -308 -424 -796 -740 -305 181 30 -114 -96 261 446 105 148 56 354 94 542 -101 -570 -69 -441 318 198 556 133 -902 -1948 -1322 -990 -631 144 -403 -230 -180 140 63 338 306 -63 153 -529 339 379 722 433 695 455 737 36 -528 -192 -216 1103 1938 2214 1523 299 -679 -792 -225 1106 1129 755 1223 885 1129 190 -1139 -1713 -2361 -1258 -1957 -1935 -2628 -2681 -1588 -110 520 1452 1595 1750 1438 574 -1019 -1546 -435 -633 -608 998 1506 731 -847 -1573 -2765 -967 -590 -2210 -2105 -1489 -855 838 2015 2213 1809 830 -337 -359 -1059 248 -208 1096 639 1377 1032 1632 1021 910 -681 -1067 369 -458 -318 -1197 -1857 -978 464 546 400 1217 1291 1018 -89 -1040 -2556 SS 20231015T140848.4Z 8688.589449 140 1 40.15 2 60.50 136.12 69.63 130.56 0.00 1 0.00 1 0 17 1.832e-02 1.108e-02 5.312e-03 1.461e-03 2.521800e-01 7.575528e-04 3.098887e-03 -6.000000e+00 1.087186e-02 225.93 -2.00 3.51 -2.00 317.72 0.00e+00 1.333903e-03 1.227123e-04 6.255567e-04 -6.000000e+00 4.834395e-04 284.16 -2.00 20.00 -2.00 316.97 0.00e+00 2.022 0.000 302.00 328.00 3 3.5696e+00 2.0053e-03 2.3949e-02 -6.0000e+00 2.6875e-02 3.2075e-02 2.2605e-03 1.2951e-02 -6.0000e+00 2.9067e-02 -1.5070e-03 1.3918e-03 6.4365e-03 -6.0000e+00 1.7355e-02 -7.0472e-03 6.9888e-04 1.8963e-03 -6.0000e+00 7.4794e-03 1.4582e-03 5.7998e-05 4.5525e-05 2.1731e-05 -6.0000e+00 5.3852e-04 -1.0343e-02 0.0000e+00 12 9 9 12 1 1 99.99 22.81 0.39 -0.01034 -0.00991 96 27 1 5 0 413.870 26.21 20.00 22.81 16.29 21.9 956.65 1662 207 -4149 -3115 -5444 -3099 -866 -265 -765 -7121 -6476 -4784 -2375 -1174 735 132 441 1806 1629 2763 789 562 910 833 1587 -519 -569 -1970 -1689 -1244 990 456 612 -3687 -5256 -4821 -4219 -626 -768 -528 -1283 -264 233 329 1177 504 -153 -634 -652 83 1124 959 1278 1008 524 1493 469 -94 -517 366 1096 2271 2918 2406 246 -1037 -1358 -647 2208 1537 944 1294 1048 1329 -314 -1112 -2386 -2905 -2001 -2270 -2439 -2609 -2911 -1608 -344 402 1398 1229 1534 1103 339 -1006 -2006 -636 -730 -299 320 1327 425 -472 -1506 -2005 -829 -471 -1583 -1915 -1123 -768 816 1450 1242 970 501 -158 -331 -412 -5 231 778 610 686 896 1042 645 902 -577 -659 412 -98 -294 -1052 -1254 -612 -128 341 245 767 837 455 -34 -372 -1487 154 21 -437 -303 -494 -265 -77 -26 -83 -849 -770 -588 -321 -181 126 25 86 359 337 583 172 123 201 194 387 -132 -141 -470 -383 -280 231 117 166 -1045 -1451 -1325 -1270 -215 -313 -243 -645 -137 123 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