File name: Pandora75s1_EssexMD_20250114_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20250115T052757.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20250114_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250114 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: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20250114T141750.1Z 9145.595719 324 1 52.86 2 73.31 137.15 100.35 311.39 0.00 1 0.00 1 0 17 1.910e-01 1.002e-02 1.524e-01 6.143e-03 4.332360e-01 3.305336e-03 5.202076e-03 -6.000000e+00 1.142100e-01 223.88 -2.00 3.48 -2.00 320.04 0.00e+00 2.395237e-03 1.046311e-03 1.541569e-03 -6.000000e+00 4.953635e-03 276.74 -2.00 20.00 -2.00 319.50 0.00e+00 3.428 0.001 302.00 328.00 3 4.3096e+00 9.5398e-03 4.0953e-02 -6.0000e+00 2.8161e-01 7.6519e-02 1.1392e-02 2.3263e-02 -6.0000e+00 3.0507e-01 -5.0464e-02 9.7598e-03 1.2460e-02 -6.0000e+00 1.8168e-01 1.0064e-02 5.0659e-03 4.1391e-03 -6.0000e+00 7.7730e-02 1.3743e-04 -1.2127e-03 2.0262e-04 6.1579e-05 -6.0000e+00 5.8726e-03 -2.5766e-02 1.5859e-04 12 9 8 11 16 0 45.18 22.78 0.50 -0.02577 -0.03488 15 2 1 5 0 3523.700 25.68 20.00 22.78 5.92 5.8 868.87 11858 -43295 -18514 17612 57004 -57047 188894 -15453 -5035 -25768 12430 -5154 5346 7132 -21161 -12563 12289 -9446 -10963 -5578 816 -13907 19089 1531 -8546 -7248 -4461 -16053 1616 9474 2679 -17654 -1601 4729 -8552 -11100 -3647 -13407 -683 2428 1668 -3110 3290 -264 2845 -6201 7108 -4422 2225 2554 -1173 5239 2024 6028 -4581 4209 2962 534 -131 717 964 802 3680 795 3571 -808 895 -754 3208 3537 408 -499 1398 -139 -504 -2423 -3629 -4012 -2262 -448 -122 -1470 -2963 -786 -793 -527 942 892 1642 1596 730 -531 -292 -2084 -252 133 685 593 401 -444 -1216 -688 -350 -2506 -1922 -1411 -337 -367 563 808 901 1099 -169 -1154 -66 230 -927 104 701 1055 128 867 359 806 250 129 218 -35 -215 -878 -11 -635 -289 -290 240 336 295 -13 438 344 -489 -824 124 -908 -323 230 466 -1398 1131 -286 -93 -631 217 -115 125 198 -933 -588 495 -509 -639 -322 45 -901 915 93 -605 -529 -321 -1259 103 573 191 -1740 -149 435 -880 -1167 -385 -1811 -97 393 303 -633 656 -56 648 -1560 1571 -1102 527 626 -320 1459 627 1914 -1693 1467 1064 196 -48 258 358 323 1585 380 1696 -387 407 -351 1545 1901 247 -317 869 -84 -281 -1250 -1759 -1930 -1152 -255 -79 -1074 -2376 -655 -705 -498 920 894 1629 1522 654 -447 -233 -1703 -219 129 746 718 514 -567 -1474 -766 -368 -2745 -2228 -1721 -429 -496 811 1256 1492 1858 -284 -1852 -98 327 -1340 155 1102 1721 212 1397 564 1209 359 178 294 -49 -328 -1460 -19 -1177 -555 -585 509 745 671 -29 1005 763 -1048 -1704 SS 20250114T142330.2Z 9145.599655 327 1 52.11 2 72.57 138.30 101.15 312.37 0.00 1 0.00 1 0 17 1.382e-01 1.247e-02 3.191e-02 3.014e-03 4.153508e-01 1.586913e-03 4.933163e-03 -6.000000e+00 8.263232e-02 223.88 -2.00 3.48 -2.00 319.05 0.00e+00 9.295291e-04 3.831775e-04 9.401411e-04 -6.000000e+00 3.583776e-03 276.74 -2.00 20.00 -2.00 318.49 0.00e+00 3.292 0.001 302.00 328.00 3 4.3261e+00 4.3368e-03 3.8975e-02 -6.0000e+00 2.0375e-01 4.3585e-02 5.0058e-03 2.1506e-02 -6.0000e+00 2.2071e-01 -2.4877e-02 3.7830e-03 1.0872e-02 -6.0000e+00 1.3145e-01 2.4765e-03 1.9959e-03 3.2028e-03 -6.0000e+00 5.6242e-02 1.5960e-04 -1.1470e-03 9.4796e-05 4.1239e-05 -6.0000e+00 4.2481e-03 -2.5042e-02 2.2270e-04 12 9 8 11 40 0 59.56 22.80 0.26 -0.02504 -0.03366 16 3 1 5 0 3256.670 25.68 20.00 22.80 5.91 5.7 868.26 -99296 -25960 -3502 -5171 -71162 11736 5819 6856 -50150 -15771 -48814 -6339 33544 24208 -9046 4502 8815 -9480 36033 15826 14185 14095 -3807 2717 -11259 -2988 13456 7282 1919 -6092 1072 2006 -1438 -2369 850 12100 -572 1804 829 -2232 187 1609 841 391 3327 594 2960 -618 2734 2167 -1712 383 4014 3294 -1390 285 -53 -550 646 -1043 -699 1475 2223 974 859 -1563 -831 -512 2293 4223 -80 1198 760 255 469 -2602 -3608 -1835 -1606 -1895 -1270 -4480 -2036 -343 461 -930 1068 797 1305 2070 287 -878 -517 -1684 -1263 307 226 817 386 -114 -874 -1634 -29 -961 -615 -1485 -74 266 560 1154 1162 828 60 -303 -405 215 -100 144 296 345 -10 1417 1319 132 310 -707 -125 -1132 -185 220 -246 -1246 -159 -517 339 93 500 1006 -199 278 -500 -708 -5491 -791 -100 -147 -3638 252 138 179 -2594 -626 -2811 -255 1045 989 -611 306 629 -872 2234 1256 1175 1180 -394 280 -1423 -364 1412 787 211 -737 132 274 -225 -393 134 1696 -99 353 196 -641 53 483 265 126 1051 194 946 -205 887 732 -645 154 1670 1473 -683 142 -27 -282 322 -526 -363 809 1329 635 571 -1025 -522 -323 1507 2793 -60 931 591 191 324 -1831 -2377 -1170 -1095 -1349 -1021 -4147 -1988 -323 460 -1002 1184 910 1478 2236 294 -844 -508 -1680 -1247 335 278 1027 514 -151 -1098 -2059 -34 -1166 -792 -1895 -98 373 840 1734 1858 1358 97 -464 -583 316 -148 221 448 546 -16 2191 1982 206 461 -1020 -175 -1651 -289 345 -414 -2215 -272 -933 641 185 954 1939 -386 552 -959 -1310 SS 20250114T142856.3Z 9145.603429 330 1 51.01 2 71.88 139.41 101.90 313.32 0.00 1 0.00 1 0 17 7.992e-02 8.322e-03 7.021e-02 4.647e-03 4.050626e-01 2.445842e-03 4.807707e-03 -6.000000e+00 4.777791e-02 223.89 -2.00 3.48 -2.00 319.62 0.00e+00 2.223116e-03 6.963954e-04 1.161078e-03 -6.000000e+00 2.072554e-03 276.74 -2.00 20.00 -2.00 319.08 0.00e+00 3.173 0.001 302.00 328.00 3 4.2992e+00 6.8542e-03 3.7764e-02 -6.0000e+00 1.1781e-01 5.4663e-02 8.0675e-03 2.1082e-02 -6.0000e+00 1.2763e-01 -1.7357e-02 6.6204e-03 1.1212e-02 -6.0000e+00 7.6009e-02 -5.5562e-03 3.4860e-03 3.7658e-03 -6.0000e+00 3.2512e-02 1.8402e-04 -1.0365e-03 1.5021e-04 4.8162e-05 -6.0000e+00 2.4574e-03 -2.4878e-02 1.3818e-04 11 9 0 11 24 0 39.68 22.80 0.35 -0.02488 -0.03267 17 3 1 5 0 3000.580 25.68 20.00 22.80 5.88 5.7 868.26 -859 12815 -32544 -44330 -8701 24737 -35822 -6814 -36885 -8337 -32053 -3782 2360 6519 -3991 -13174 2805 -1002 3017 295 2248 -7030 7764 2030 598 -3216 -8620 -1150 -8426 1866 -3615 -2603 -5727 -5528 -6084 -5718 -2395 -6719 -4322 -2213 4285 -1317 368 1368 4210 2489 3801 81 -2382 1886 767 2288 1603 -211 -641 1295 718 214 744 -518 2001 2298 2339 1739 1588 -296 887 105 -174 2432 164 602 946 1605 -681 -3262 -2481 -2594 -1689 -2372 -906 -1156 -1411 -1843 -395 156 242 1073 575 1105 862 616 -1740 -344 -1517 544 820 732 -39 -263 -4 -1795 -388 -1485 -1160 -1239 -876 9 598 944 1051 399 -191 -395 -409 -95 -393 890 501 -107 518 646 995 185 862 -846 -34 -161 -154 -656 -46 -245 -234 -175 115 103 135 662 -126 204 -282 -758 -14 211 -898 -1351 -172 336 -930 -146 -1185 -216 -1096 -104 71 226 -182 -760 151 -60 185 19 149 -515 505 148 47 -273 -781 -94 -715 161 -360 -288 -721 -729 -788 -736 -323 -1099 -824 -484 978 -339 97 365 1103 669 1009 22 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