File name: Pandora55s1_QueensNY_20230530_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240123T141718.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230530_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230530 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 --------------------------------------------------------------------------------------- SU 20230530T113424.0Z 8550.482222 354 1 50.58 2 68.35 79.35 136.93 325.31 0.00 1 0.00 1 0 17 5.030e-01 7.132e-02 2.864e-02 2.862e-03 3.732846e-01 1.502534e-03 4.641274e-03 -6.000000e+00 3.033186e-01 231.98 -2.00 3.51 -2.00 318.51 0.00e+00 3.532117e-02 3.082506e-04 9.256450e-04 -6.000000e+00 1.355629e-02 285.13 -2.00 20.00 -2.00 317.78 0.00e+00 2.686 0.000 302.00 328.00 3 4.4219e+00 4.0923e-03 3.6181e-02 -6.0000e+00 7.6002e-01 3.4719e-01 4.5858e-03 4.1011e-02 -6.0000e+00 8.2085e-01 -4.9995e-01 2.8046e-03 1.8281e-02 -6.0000e+00 4.8835e-01 2.5689e-01 1.4577e-03 2.6862e-02 -6.0000e+00 2.0604e-01 2.2958e-04 -6.2682e-04 8.4421e-05 2.8555e-04 -6.0000e+00 1.5131e-02 1.6767e-02 0.0000e+00 12 9 8 11 4 0 40.08 22.68 0.23 0.01677 0.01206 13 2 1 5 0 3889.920 26.00 20.00 22.68 21.03 35.1 1062.56 118775 900000 118783 181679 208554 135766 235244 101482 63801 32601 26687 36865 67168 139074 96119 75539 -97125 144719 118112 121284 92305 79209 39011 36767 19573 60595 14445 19911 25075 44021 59544 51412 41157 48215 64815 33811 22820 24956 19507 2776 7618 -2483 5238 9315 23767 15675 29653 27068 27222 21187 17388 11653 18155 12909 4661 2764 -5698 -6547 -7467 -2800 4394 5336 2058 7272 2331 9364 3758 3643 886 -3205 -2126 -3415 -6843 -4016 -7305 -5494 -2929 -3773 -3298 -2997 784 -2415 -3829 -6171 -5318 -6992 -5244 -5798 -3263 -3326 -3548 -2904 -3454 -4817 -3509 -2987 -1100 -206 -262 1578 1119 1475 1741 420 -1529 -1087 -1307 128 2095 1542 213 901 209 -202 33 551 2071 1819 1563 997 2127 3811 3880 2222 1379 1822 2607 2336 1792 3473 2472 2576 1322 758 -457 -196 -860 -1370 -2334 -2058 -2318 -2483 -3106 7097 900000 7530 5803 4464 4925 3015 4152 3405 2164 1893 2818 5061 6924 8619 9251 -56988 10649 11452 11388 10828 9580 6132 5320 3058 6220 2250 3027 3918 6567 8987 9454 8811 9570 10415 7030 5454 6356 5633 975 2681 -991 2067 3726 8849 6466 11119 10472 10627 8886 7843 5768 8785 6591 2508 1479 -3177 -3611 -4162 -1557 2472 3261 1399 5013 1677 6143 2464 2384 625 -2502 -1730 -2843 -5737 -3166 -5570 -3842 -1910 -2500 -2343 -2364 659 -2225 -3724 -6315 -5625 -7793 -5986 -6785 -3756 -3746 -3817 -2931 -3336 -4692 -3591 -3321 -1320 -265 -352 2094 1430 1774 2012 495 -1898 -1403 -1750 176 2982 2315 335 1436 329 -308 49 777 2899 2624 2350 1558 3338 5865 5846 3306 2001 2561 3555 3221 2593 5245 3915 4181 2197 1296 -810 -356 -1598 -2574 -4425 -3840 -4233 -4399 -5429 SU 20230530T113710.8Z 8550.484153 357 1 52.00 2 67.83 79.77 137.22 326.19 0.00 1 0.00 1 0 17 1.010e-01 1.359e-02 2.047e-02 2.685e-03 3.989276e-01 1.424947e-03 4.644033e-03 -6.000000e+00 6.089229e-02 231.98 -2.00 3.51 -2.00 318.57 0.00e+00 -1.159497e-03 3.020007e-04 2.908486e-04 -6.000000e+00 2.720369e-03 285.13 -2.00 20.00 -2.00 317.80 0.00e+00 2.627 0.000 302.00 328.00 3 4.5217e+00 3.9057e-03 3.3764e-02 -6.0000e+00 1.5258e-01 2.9926e-02 4.4666e-03 2.0941e-02 -6.0000e+00 1.6477e-01 -1.2029e-03 3.0540e-03 1.0220e-02 -6.0000e+00 9.8028e-02 -5.6674e-03 1.5759e-03 2.8534e-03 -6.0000e+00 4.1379e-02 2.4936e-04 3.0525e-04 8.3117e-05 3.3363e-05 -6.0000e+00 3.0365e-03 1.4147e-02 0.0000e+00 12 9 8 11 36 0 42.30 22.68 0.31 0.01415 0.01644 14 3 1 5 0 3713.520 26.00 20.00 22.68 21.02 35.1 1062.64 -52778 900000 23770 -3305 34616 -10265 1459 4789 -9316 -19544 -23533 -29226 -8979 45954 4974 -261 5517 37059 16872 22442 2080 3932 -17131 -3744 -5703 37632 -2598 -6138 -8173 3348 4683 -888 -12480 -4981 14531 -6103 -8665 -3692 2501 -4728 3767 -5666 -3118 -1913 5243 -4249 4175 559 2530 -160 -1972 3295 4708 4225 963 1373 1768 3189 1125 2101 4036 629 -2751 1121 -4008 2182 -1313 811 1471 393 927 905 -1452 2156 -275 1575 257 -17 -1703 -1421 833 -734 -694 -2643 -574 -1673 -1042 -1135 532 -78 -22 840 992 396 1195 -342 115 -165 -1235 -195 -684 -169 1188 676 -294 -24 -1217 -575 1298 542 -941 215 -364 -593 9 574 1179 151 -253 -1488 -433 1002 1388 -57 -572 -148 1112 196 -147 1359 453 750 557 565 -358 723 15 -147 -926 -417 -679 -183 -280 -3208 900000 746 -126 884 -411 59 211 -510 -1230 -1605 -2335 -689 2470 445 -27 573 3031 1748 2283 260 493 -2756 -572 -942 4292 -420 -986 -1310 503 763 -168 -2793 -1050 2519 -1310 -2126 -1021 765 -1729 1379 -2343 -1289 -788 2049 -1791 1638 226 1022 -69 -911 1563 2332 2209 534 781 1014 1801 638 1184 2315 396 -1898 786 -2920 1461 -876 539 1048 306 763 765 -1237 1728 -212 1114 174 -11 -1230 -1127 710 -682 -677 -2725 -610 -1872 -1202 -1332 615 -88 -24 852 966 388 1224 -382 138 -212 -1660 -259 -877 -204 1380 801 -366 -31 -1634 -795 1846 813 -1480 340 -574 -905 13 807 1647 217 -380 -2317 -678 1542 2091 -85 -828 -208 1513 270 -213 2049 715 1213 920 959 -631 1309 28 -276 -1747 -775 -1234 -323 -488 SU 20230530T114106.8Z 8550.486884 363 1 48.98 2 67.10 80.36 137.63 327.45 0.00 1 0.00 1 0 17 2.116e-01 1.321e-02 3.620e-02 2.596e-03 3.832940e-01 1.371020e-03 4.480093e-03 -6.000000e+00 1.276518e-01 231.98 -2.00 3.51 -2.00 318.42 0.00e+00 2.105819e-04 2.764568e-04 1.573437e-04 -6.000000e+00 5.628914e-03 285.13 -2.00 20.00 -2.00 317.65 0.00e+00 2.549 0.000 302.00 328.00 3 4.5029e+00 3.7393e-03 3.2635e-02 -6.0000e+00 3.1986e-01 2.6620e-02 4.2552e-03 2.0122e-02 -6.0000e+00 3.4542e-01 -1.0605e-02 2.8383e-03 9.7846e-03 -6.0000e+00 2.0538e-01 2.1475e-03 1.4595e-03 2.7084e-03 -6.0000e+00 8.6299e-02 2.7995e-04 3.7631e-04 8.0087e-05 3.1834e-05 -6.0000e+00 6.3648e-03 1.4157e-02 0.0000e+00 12 9 8 11 36 0 25.43 22.69 0.60 0.01416 0.01698 14 3 1 5 0 3497.790 26.00 20.01 22.69 21.05 35.1 1063.21 -40116 200266 -47454 -5742 28807 -17912 83027 -11347 -5781 -31058 -25130 14091 -4796 29927 -6057 -18953 49170 28448 11484 20794 7986 7011 2714 196 -5086 28790 -4019 5878 -8014 -4271 3860 -3336 -8816 -6727 14133 -6829 -6993 -302 2107 -3716 1152 -5528 -3498 -642 4316 -3235 -1053 2726 3275 -878 -718 -3160 3930 3441 1124 3718 1632 1864 1101 339 3137 1368 -1341 1579 1735 2279 -904 1536 540 -1121 684 1152 -1745 1818 -903 937 907 -379 -1488 -1663 -675 -1442 -502 -2897 -398 -1889 -607 -1232 -185 -141 430 727 1043 569 704 1640 171 -342 -987 -648 -786 -262 866 155 -586 -535 -1313 220 1147 400 386 29 -272 -420 -279 453 1029 349 -225 -351 -242 458 756 -43 -300 -122 807 34 47 736 411 695 165 734 -235 274 95 1 -749 -655 37 -313 -496 -2578 1397 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