File name: Pandora75s1_EssexMD_20241223_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T091744.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 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_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20241223_L1_smca1c3d20230525p1-8.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: 20241223 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 session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20241223T142120.8Z 9123.598158 330 1 50.08 2 73.49 141.12 59.74 232.58 0.00 1 0.00 1 0 17 4.512e-01 1.488e-02 1.274e-01 3.797e-03 4.548357e-01 1.964063e-03 5.422018e-03 -6.000000e+00 2.652566e-01 223.32 -2.00 3.48 -2.00 319.57 0.00e+00 2.322553e-03 5.644302e-04 1.857922e-03 -6.000000e+00 1.174194e-02 277.97 -2.00 20.00 -2.00 318.97 0.00e+00 3.463 0.001 302.00 328.00 3 4.7093e+00 5.5316e-03 4.1679e-02 -6.0000e+00 6.5252e-01 3.9877e-02 6.5148e-03 2.4007e-02 -6.0000e+00 7.1114e-01 -4.2801e-02 5.1573e-03 1.2664e-02 -6.0000e+00 4.2428e-01 1.2810e-02 2.6783e-03 4.1161e-03 -6.0000e+00 1.7700e-01 8.8717e-05 3.4978e-04 1.1963e-04 6.0440e-05 -6.0000e+00 1.3948e-02 1.2846e-02 6.5136e-05 12 9 8 11 8 0 51.85 22.75 0.48 0.01285 0.01547 13 2 1 5 0 3851.900 25.68 20.00 22.75 1.96 5.7 838.51 -139029 -29523 84537 57246 -42077 -69661 117968 -28272 -52730 -13640 -28596 -7129 68381 459196 8298 -35839 -13346 -12338 12988 -19296 18095 17237 -14191 2147 -12604 4113 -9185 -15368 -1129 33668 2078 -549 7608 -3588 3604 -1877 -4778 -3619 4429 10633 -5980 8379 9357 2310 -1913 4897 5820 -635 366 5276 -1880 2206 4230 4582 837 4593 -375 -2244 -3353 -1065 2818 5984 2901 2096 2830 -4103 501 -1353 4471 2754 445 4192 -822 -1521 -1042 -2110 -3463 584 -2178 -3255 -1268 -2728 -2577 -1128 -3189 -94 733 1117 -414 2205 959 -704 -849 -2328 -2078 1061 823 -130 1096 196 -1929 -1518 -734 -1466 -1416 -1449 -962 419 1374 1130 2055 685 213 -164 -1031 1508 225 -565 321 268 744 512 1054 1083 174 -608 58 -1292 38 170 160 -282 -264 108 -246 -777 320 365 -239 631 -82 -334 -564 -7582 -616 598 572 -963 -2040 612 -701 -1855 -349 -889 -195 1038 1700 335 -2601 -855 -845 736 -1579 1045 1015 -1182 161 -1167 337 -867 -1502 -94 2045 192 -59 840 -465 427 -236 -672 -587 794 2099 -1554 2017 2328 631 -552 1335 1582 -186 108 1551 -641 787 1451 1673 333 1815 -159 -965 -1435 -444 1174 2623 1447 1140 1561 -2349 266 -742 2500 1755 316 2990 -612 -1087 -684 -1271 -1970 317 -1319 -2278 -993 -2218 -2264 -1039 -3202 -98 790 1230 -460 2296 943 -655 -754 -2123 -2052 1144 930 -164 1449 258 -2444 -1766 -871 -1649 -1693 -1833 -1280 584 1900 1700 3273 1134 348 -254 -1518 2239 316 -835 498 432 1197 808 1604 1582 264 -893 83 -1942 56 278 279 -483 -471 201 -488 -1616 634 733 -478 1290 -161 -634 -1060 SS 20241223T142700.3Z 9123.602087 333 1 50.19 2 72.81 142.28 60.61 233.82 0.00 1 0.00 1 0 17 1.839e-01 1.407e-02 5.030e-02 3.413e-03 4.390445e-01 1.766563e-03 5.333255e-03 -6.000000e+00 1.080726e-01 223.32 -2.00 3.48 -2.00 319.43 0.00e+00 2.634189e-03 4.793536e-04 1.925027e-03 -6.000000e+00 4.863634e-03 277.97 -2.00 20.00 -2.00 318.81 0.00e+00 3.335 0.001 302.00 328.00 3 4.6975e+00 4.9319e-03 4.0255e-02 -6.0000e+00 2.6582e-01 3.5830e-02 5.7705e-03 2.3401e-02 -6.0000e+00 2.8976e-01 -3.9613e-02 4.4242e-03 1.2334e-02 -6.0000e+00 1.7292e-01 1.1489e-02 2.2997e-03 4.0095e-03 -6.0000e+00 7.2265e-02 1.0348e-04 -1.9572e-04 1.0776e-04 5.8612e-05 -6.0000e+00 5.7469e-03 1.3471e-02 -4.3700e-05 12 9 8 11 8 0 10.01 22.75 0.27 0.01347 0.01200 14 2 1 5 0 3584.530 25.68 20.00 22.75 2.43 5.7 842.33 -122263 -21764 38448 900000 -54151 -50086 56314 -5862 -56058 -1006 -37580 -29098 52281 89043 11589 -30454 -13286 -7596 1283 -9623 13787 10900 -16416 -2035 -13794 10204 -15747 -12790 -11914 26589 -3842 -2816 3186 -2058 2851 -2341 971 -3163 5733 5273 140 5681 5351 2052 -1336 4319 2326 569 238 3982 -73 4053 4565 6121 1057 3432 1995 -2087 -2026 -3714 3066 4647 3008 1844 1363 -1171 -410 -1670 2465 2252 -299 4004 -435 -1033 -797 -603 -3521 -739 -2686 -4180 -86 -2493 -1693 -1761 -2179 442 839 502 -302 1891 -190 542 -747 -2234 -1681 466 735 -191 712 -277 -1105 -1809 -829 -1761 -1432 -1651 -1092 710 907 1511 2402 871 330 -529 -652 1131 233 -107 476 294 1114 836 1051 400 328 -684 9 -893 655 17 -387 -751 -242 -208 -202 -534 268 782 -431 803 -237 -385 -654 -6733 -500 563 900000 -1820 -1567 637 -137 -2388 -26 -1488 -1152 1079 1541 521 -2402 -973 -566 93 -813 945 776 -1584 -180 -1455 883 -1782 -1366 -1233 1938 -421 -345 407 -290 376 -326 142 -562 1114 1204 37 1535 1514 614 -380 1292 714 179 77 1284 -24 1391 1680 2365 450 1469 882 -958 -915 -1705 1365 2210 1603 1073 813 -692 -233 -971 1484 1521 -207 2764 -312 -710 -551 -377 -2112 -428 -1716 -3092 -64 -2112 -1538 -1701 -2084 438 869 536 -324 1903 -198 518 -688 -2110 -1711 482 857 -249 903 -351 -1430 -2174 -937 -2050 -1768 -2162 -1393 945 1296 2327 3649 1375 513 -842 -976 1596 333 -160 750 483 1825 1346 1637 602 471 -955 12 -1266 992 29 -641 -1307 -435 -394 -379 -1050 537 1579 -876 1556 -444 -741 -1248 SS 20241223T143736.5Z 9123.609450 336 1 52.73 2 71.59 144.48 62.29 236.07 0.00 1 0.00 1 0 25 1.357e-01 1.175e-02 3.412e-02 2.855e-03 4.126615e-01 1.469264e-03 4.875738e-03 -6.000000e+00 7.972157e-02 223.32 -2.00 3.48 -2.00 319.14 0.00e+00 1.823940e-03 3.681661e-04 1.213483e-03 -6.000000e+00 3.530603e-03 277.97 -2.00 20.00 -2.00 318.51 0.00e+00 3.126 0.000 302.00 328.00 3 4.6837e+00 4.0455e-03 3.7436e-02 -6.0000e+00 1.9611e-01 1.0573e-02 4.6906e-03 2.1089e-02 -6.0000e+00 2.1376e-01 -1.2496e-02 3.4650e-03 1.0872e-02 -6.0000e+00 1.2753e-01 -7.3143e-04 1.8065e-03 3.4147e-03 -6.0000e+00 5.3181e-02 1.3351e-04 -1.3153e-05 9.0608e-05 4.5676e-05 -6.0000e+00 4.1943e-03 1.3219e-02 -3.5631e-05 12 9 8 11 40 0 20.54 22.77 0.68 0.01322 0.01312 17 3 1 5 0 3101.110 25.68 20.00 22.77 3.51 5.7 849.47 -102372 -25623 23609 64943 -27525 -37197 -896 4154 -36858 -105 -23156 -14625 8054 53428 13961 -17418 -12771 -9099 4165 -5631 6529 9192 -4603 1626 -8841 -4323 -7122 -9057 -4642 19510 1593 -691 -354 -7843 1675 -4165 -567 -2093 3417 1657 -288 5851 3823 -593 322 3953 2177 -1222 -20 1673 469 1316 2544 5006 -395 2832 -346 -1931 -415 -1187 1957 4238 3050 1892 1713 -1004 -186 -322 2126 1818 324 2725 -134 -947 -1399 -1190 -2644 -613 -2800 -3040 -1829 -2668 -1912 -720 -2010 -269 479 1197 411 1395 588 -159 -742 -1734 -1073 498 673 -13 856 -224 -942 -1709 -825 -1321 -1749 -1102 -289 240 573 697 1950 674 399 -479 -486 619 -149 299 236 301 639 611 1065 885 245 -638 -84 -1042 704 35 -115 -556 -213 121 -117 -381 120 799 -271 452 -340 -465 -485 -5804 -842 500 886 -881 -1274 -22 110 -1632 -3 -999 -627 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