File name: Pandora75s1_EssexMD_20240914_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240919T134927.2Z 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 v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240914_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: 20240914 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 20240914T113919.6Z 9023.485643 97 1 50.93 2 80.68 93.63 148.71 288.11 0.00 1 0.00 1 0 17 4.218e-01 1.986e-02 3.354e-01 1.179e-02 7.052308e-01 7.012522e-03 9.355114e-03 -6.000000e+00 2.586497e-01 229.31 -2.00 3.48 -2.00 321.72 0.00e+00 9.660942e-03 3.821172e-03 9.143205e-03 -6.000000e+00 1.161604e-02 288.99 -2.00 20.00 -2.00 321.17 0.00e+00 5.868 0.004 302.00 328.00 3 2.3098e+00 2.6467e-02 8.2160e-02 -6.0000e+00 6.4460e-01 5.6093e-01 3.4687e-02 6.5336e-02 -6.0000e+00 6.9448e-01 -7.8024e-01 2.9007e-02 2.8779e-02 -6.0000e+00 4.1332e-01 3.0985e-01 1.3670e-02 6.5729e-03 -6.0000e+00 1.7667e-01 6.9259e-05 -1.7930e-03 3.6896e-04 2.3288e-04 -6.0000e+00 1.3073e-02 -3.2391e-02 9.1824e-05 12 9 8 11 16 0 -50.64 23.86 0.95 -0.03239 -0.04586 32 5 1 5 0 1591.400 26.51 20.00 23.86 26.65 5.0 999.53 -36682 -95757 19723 -72755 -161470 -167808 -180860 -17489 900000 -43117 198642 -56458 -122115 113349 -72212 52254 20641 23245 -28599 6673 79653 7181 15525 -64033 87881 -30784 -3900 -18417 -35820 -54875 -41143 -14638 -4271 3996 -23235 6217 26102 51879 51243 57167 892 17578 46821 35813 -2304 48052 42469 35042 13485 49000 22724 20115 30438 33117 2400 8397 11421 3121 12266 13343 7126 12429 20204 7938 9925 12237 9757 9493 8746 11039 5700 11241 5794 1749 -1018 303 -5931 -6952 -5169 -5778 -1648 -3591 1265 2160 -2264 -625 2318 430 1055 -1100 2349 -4898 -1414 -4513 -2885 -3946 -396 -2348 1417 -1832 -2671 -3173 -1442 -2818 -4117 -3255 -553 -69 -279 -637 3038 -494 168 -476 276 -1179 1256 -1449 1766 2165 1310 1308 622 1671 399 1250 -19 298 831 -87 695 -396 244 -597 -523 708 -296 327 254 84 -672 -1264 -422 -1926 227 -1184 -5721 -5785 -6928 -201 900000 -495 2283 -757 -3859 1303 -2213 600 336 401 -956 160 915 165 324 -3010 1010 -1061 -102 -539 -1235 -2465 -1891 -612 -183 167 -1238 240 873 1517 1767 2150 65 1157 2397 2095 -200 2560 2440 2233 1113 3020 1994 1996 2957 3356 346 1167 1551 453 1576 1673 983 1779 3018 1493 1928 2545 2074 2094 2120 2943 1749 3384 1811 535 -291 77 -1520 -1845 -1515 -2012 -644 -1630 600 1085 -1267 -365 1375 266 647 -665 1288 -2724 -742 -2557 -1807 -2907 -328 -2263 1422 -1903 -2643 -2881 -1195 -2367 -3704 -3082 -543 -73 -328 -845 4291 -765 261 -725 400 -1687 1779 -2206 2743 3451 2087 2016 933 2390 556 1677 -25 426 1327 -158 1374 -850 552 -1451 -1353 1893 -818 909 700 222 -1686 -3021 SS 20240914T114903.7Z 9023.492404 102 1 51.56 2 78.81 95.20 150.37 290.63 0.00 1 0.00 1 0 17 4.081e-01 1.291e-02 7.897e-02 2.493e-03 6.184838e-01 1.394814e-03 7.690222e-03 -6.000000e+00 2.494409e-01 229.31 -2.00 3.48 -2.00 320.65 0.00e+00 3.550476e-03 5.829884e-04 4.149651e-03 -6.000000e+00 1.114300e-02 288.99 -2.00 20.00 -2.00 320.00 0.00e+00 4.969 0.002 302.00 328.00 3 2.0306e+00 4.4314e-03 6.1993e-02 -6.0000e+00 6.2019e-01 8.1109e-02 5.7172e-03 4.0469e-02 -6.0000e+00 6.6754e-01 -1.7413e-01 5.1677e-03 1.9420e-02 -6.0000e+00 3.9892e-01 6.5000e-02 2.5534e-03 4.9964e-03 -6.0000e+00 1.7105e-01 2.5899e-04 -1.2610e-03 7.4955e-05 1.0561e-04 -6.0000e+00 1.2572e-02 -3.2810e-02 1.8430e-04 12 8 8 10 0 0 24.07 23.86 0.74 -0.03281 -0.04229 76 12 1 5 0 678.390 26.51 20.01 23.86 27.22 5.0 1003.37 -162602 -123524 -89647 -12586 -204326 -107423 -127284 -144626 -177779 -124778 -125532 -67365 -39420 -49752 -62325 -16876 -31116 -42423 -18166 -14366 -17485 -5111 -3394 -6524 -22092 -9587 -8656 -7035 -17165 -44411 -9536 -23736 265 -4070 -5023 14101 -15073 4919 9551 -4993 771 -3083 -5 6772 6187 12144 8207 6466 6365 9039 3209 6355 7251 8816 3572 1106 2508 5050 3861 1934 2408 2425 3448 4271 2212 -1488 1020 1321 3442 6231 2351 2143 2452 -1003 123 -276 -3629 -4527 -2454 -2290 -1577 -4194 -1190 -1776 -150 -951 822 1291 1071 844 -199 -2397 -244 -1857 -2321 185 375 664 -294 -755 -931 -2003 -1093 -927 -940 -1473 -551 -445 438 844 1349 494 103 -202 -312 -21 204 217 254 666 612 1240 1223 750 778 -410 -24 -817 48 52 -89 -712 -402 -230 -152 334 523 552 20 -96 -546 -718 -2443 -1501 -852 -56 -5779 -1116 -1688 -2525 -4832 -2178 -2358 -868 -470 -834 -1485 -308 -749 -1268 -464 -374 -485 -127 -86 -182 -773 -312 -286 -226 -605 -2191 -385 -1304 13 -228 -282 655 -1019 318 713 -513 85 -382 -1 830 777 1470 1057 874 900 1331 552 1179 1463 1901 863 285 655 1288 979 497 639 703 1113 1517 842 -584 388 518 1313 2616 1129 1080 1225 -493 55 -124 -1585 -2022 -1082 -1178 -937 -2906 -878 -1294 -115 -784 699 1124 933 711 -159 -1843 -194 -1551 -1979 177 412 761 -365 -941 -1099 -2193 -1203 -1025 -1103 -1701 -671 -582 623 1229 2135 827 174 -329 -483 -31 308 342 422 1140 1045 2045 1952 1159 1153 -595 -34 -1237 80 90 -168 -1441 -801 -487 -341 735 1182 1265 45 -210 -1215 -1529 SS 20240914T115450.2Z 9023.496414 105 1 51.54 2 77.70 96.14 151.35 292.23 0.00 1 0.00 1 0 17 3.343e-01 1.187e-02 3.318e-02 1.754e-03 5.764904e-01 9.653453e-04 7.093425e-03 -6.000000e+00 2.043932e-01 229.31 -2.00 3.48 -2.00 320.25 0.00e+00 2.447372e-03 3.572288e-04 3.302526e-03 -6.000000e+00 9.129871e-03 288.99 -2.00 20.00 -2.00 319.56 0.00e+00 4.555 0.002 302.00 328.00 3 1.8729e+00 2.9157e-03 5.6306e-02 -6.0000e+00 5.0819e-01 6.4387e-02 3.6232e-03 3.5567e-02 -6.0000e+00 5.4696e-01 -1.4893e-01 3.0936e-03 1.6594e-02 -6.0000e+00 3.2686e-01 5.5650e-02 1.5680e-03 4.2776e-03 -6.0000e+00 1.4018e-01 4.6924e-04 -1.1093e-03 5.3070e-05 7.6734e-05 -6.0000e+00 1.0300e-02 -3.3455e-02 2.0937e-04 12 8 8 10 0 0 13.97 23.86 0.58 -0.03346 -0.04179 109 18 1 5 0 472.750 26.51 20.00 23.86 27.46 5.0 1004.70 -116493 -101538 -90954 -73614 -148750 -106502 -119004 -99507 -129825 -83608 -105414 -81536 -57870 -62061 -49826 -10990 -24347 -26228 -1072 -16870 -14144 -7094 -6615 -12175 -15224 -7742 -4023 -6198 -6725 -34004 -3571 -7241 -4541 -5097 -5202 -1657 -13308 -1694 1642 -2224 2842 1259 3324 5449 5337 6718 3954 4497 3270 4732 3346 4278 5094 6572 3940 2786 2979 3104 2148 1038 1870 1560 4057 4547 2565 -411 609 64 2115 3784 1436 1782 1370 -69 213 -1366 -3106 -4461 -2691 -2348 -1750 -3172 -1638 -1697 -540 -327 753 1066 1010 550 -54 -1364 -741 -1789 -1383 -439 83 531 -346 -400 -1199 -1859 -913 -1097 -1096 -1154 -797 -186 586 1081 1295 720 307 -67 -174 -65 126 267 243 597 459 1074 1229 596 573 -146 40 -548 95 112 -189 -410 -323 -177 -192 169 454 482 -35 8 -550 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