File name: Pandora177s1_WestportCT_20230924_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20240313T194754.3Z 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: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20230924_L1_smca1c3d20221101p1-8.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: 20230924 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: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 20230924T144357.6Z 8667.613861 173 1 5.39 2 49.91 138.64 149.51 71.94 0.00 1 0.00 1 0 17 1.971e-02 1.223e-02 1.281e-02 6.560e-03 2.040293e-01 3.447723e-03 2.435736e-03 -6.000000e+00 1.174204e-02 228.25 -2.00 3.51 -2.00 316.15 0.00e+00 9.999328e-04 3.826521e-04 2.360876e-04 -6.000000e+00 5.292967e-04 286.71 -2.00 20.00 -2.00 315.38 0.00e+00 1.550 0.000 302.00 328.00 3 3.8370e+00 8.9380e-03 1.8627e-02 -6.0000e+00 2.9130e-02 5.2678e-02 1.0005e-02 1.0303e-02 -6.0000e+00 3.1627e-02 -9.4906e-03 5.7385e-03 5.0139e-03 -6.0000e+00 1.8890e-02 -5.3150e-03 2.5800e-03 1.4132e-03 -6.0000e+00 7.8609e-03 1.9238e-03 -2.9608e-04 2.0676e-04 1.8412e-05 -6.0000e+00 5.9861e-04 5.8100e-02 -1.2617e-04 12 9 9 12 1 1 999.00 23.23 0.61 0.05810 0.05588 1 4 2 5 0 2689.780 26.62 20.00 23.23 20.31 21.9 981.01 -842 7222 2514 -694 -5604 -2545 -2206 -2492 -647 -7655 -2231 -4770 2782 -2296 958 -4138 -616 769 2342 2869 1354 898 2193 4667 -1739 -1923 -1123 -1225 3662 -1564 278 1659 -477 -3370 -5846 -3278 -1164 -279 -3111 -1023 -1392 2707 1784 1756 2483 -767 1023 -360 -486 704 1080 575 1011 229 228 1365 -45 380 54 2522 -2 2413 1892 2074 -952 -1879 -1136 -614 3858 -797 1303 819 1492 807 -509 -1494 -1151 -2560 -2280 -1093 -2853 -2551 -3378 -41 -928 -597 761 233 1384 395 537 -396 -816 -1931 141 843 279 665 416 -1718 -1473 -920 -15 -539 -1439 -1509 -697 -948 1506 1488 768 699 1018 -456 926 40 828 66 841 538 409 737 1339 564 644 -485 -872 348 446 -564 -2023 171 -100 591 476 -166 130 491 -295 -425 -78 -766 -522 -181 1513 544 -144 -1111 -472 -433 -546 -150 -1941 -534 -1217 727 -673 302 -1462 -218 276 851 1065 515 342 837 1814 -754 -846 -475 -491 1324 -586 107 674 -207 -1496 -2556 -1399 -535 -141 -1898 -651 -958 1861 1260 1247 1746 -551 703 -243 -322 465 742 421 775 183 186 1122 -36 315 44 2035 -1 2063 1735 1957 -901 -1662 -975 -521 3377 -767 1254 816 1462 800 -475 -1336 -937 -2051 -1921 -959 -2824 -2599 -3683 -46 -1060 -726 958 288 1742 481 604 -427 -860 -2033 146 952 332 852 529 -2179 -1816 -1104 -17 -632 -1816 -1927 -922 -1310 2135 2126 1138 1028 1483 -624 1207 50 1040 87 1132 765 594 1052 1839 749 850 -614 -1072 449 580 -785 -2830 238 -143 879 714 -261 209 801 -466 -685 -121 -1163 -789 SS 20230924T145229.1Z 8667.619781 179 1 48.78 2 48.88 141.10 148.05 73.99 0.00 1 0.00 1 0 17 1.663e-02 1.020e-02 6.615e-03 2.599e-03 1.950164e-01 1.344217e-03 2.312918e-03 -6.000000e+00 9.916392e-03 228.25 -2.00 3.51 -2.00 317.19 0.00e+00 1.066912e-03 1.875132e-04 3.529330e-04 -6.000000e+00 4.463327e-04 286.71 -2.00 20.00 -2.00 316.33 0.00e+00 1.518 0.000 302.00 328.00 3 4.7493e+00 3.5509e-03 1.8095e-02 -6.0000e+00 2.4603e-02 3.7694e-02 4.0044e-03 9.8351e-03 -6.0000e+00 2.6699e-02 2.1498e-03 2.3189e-03 4.8028e-03 -6.0000e+00 1.5948e-02 -1.0528e-02 1.0791e-03 1.3827e-03 -6.0000e+00 6.6460e-03 8.1345e-04 1.2074e-03 8.4283e-05 1.6022e-05 -6.0000e+00 5.0479e-04 5.4402e-02 8.8511e-05 12 8 8 10 0 0 99.99 23.24 0.41 0.05440 0.06348 124 29 1 5 0 393.290 26.62 20.00 23.24 20.44 21.9 982.56 -1570 1776 -2756 -3878 -7440 -2107 -1086 -56 -1619 -4308 -4866 -3996 -1759 -1385 1141 -231 127 3236 1664 2418 1171 1203 2073 1759 1381 -406 -1721 -836 -343 -708 1777 1014 1608 -2813 -4773 -4094 -2457 0 123 -1183 -160 170 -658 -106 563 605 -429 -879 -436 -410 2142 388 1028 554 773 1603 569 134 -526 437 1837 2249 2439 1892 -153 -1316 -683 -223 2030 970 588 1249 797 630 42 -1562 -2217 -1740 -1433 -2047 -3040 -2552 -3021 -1112 85 126 1211 1193 1297 990 739 -715 -1339 -247 -313 -462 202 907 -153 -877 -1681 -1495 -381 -297 -1666 -2042 -970 -684 959 1481 1234 730 621 -175 -246 -75 164 69 653 242 470 761 908 556 838 -329 -285 770 25 -358 -772 -985 -377 420 224 181 323 695 593 117 -480 -1077 -691 -245 284 -455 -600 -1088 -281 -152 -9 -274 -763 -864 -729 -346 -307 274 -60 34 863 464 687 341 349 604 537 442 -134 -559 -255 -98 -201 512 315 519 -943 -1567 -1336 -867 0 58 -639 -92 102 -404 -65 342 363 -254 -506 -244 -231 1230 240 664 372 529 1108 400 94 -367 304 1313 1713 1976 1589 -128 -1026 -491 -158 1520 811 530 1150 730 554 34 -1275 -1663 -1259 -1090 -1735 -2662 -2408 -3039 -1159 94 148 1473 1479 1587 1162 806 -777 -1354 -244 -327 -528 232 1120 -198 -1113 -2006 -1803 -447 -365 -2212 -2656 -1303 -954 1382 2232 1918 1131 915 -240 -339 -98 216 96 961 348 689 1189 1371 808 1155 -436 -365 988 35 -520 -1163 -1513 -590 683 383 298 548 1190 1016 197 -854 -1872 -1195 SS 20230924T145646.5Z 8667.622761 182 1 2.47 2 48.38 142.36 147.31 74.98 0.00 1 0.00 1 0 17 1.611e-02 1.165e-02 5.275e-03 3.213e-03 1.934078e-01 1.697918e-03 2.301186e-03 -6.000000e+00 9.595491e-03 228.25 -2.00 3.51 -2.00 315.50 0.00e+00 5.365398e-04 1.647532e-04 1.595910e-04 -6.000000e+00 4.325516e-04 286.71 -2.00 20.00 -2.00 314.78 0.00e+00 1.503 0.000 302.00 328.00 3 3.4433e+00 4.3691e-03 1.7920e-02 -6.0000e+00 2.3805e-02 2.8942e-02 4.8729e-03 9.7391e-03 -6.0000e+00 2.5846e-02 -5.6250e-04 2.7842e-03 4.7377e-03 -6.0000e+00 1.5437e-02 -6.9161e-03 1.2210e-03 1.3031e-03 -6.0000e+00 6.4223e-03 3.0740e-03 -2.0409e-04 1.0037e-04 1.8710e-05 -6.0000e+00 4.8921e-04 6.2456e-02 -3.0999e-06 12 9 9 12 9 1 -660.11 23.25 0.40 0.06246 0.06092 3 18 1 5 0 615.510 26.62 20.00 23.25 20.61 22.0 984.36 1528 -1508 1143 -4113 -520 -2367 691 1134 797 -4913 -5672 -1851 -1083 1048 48 1620 -1087 1573 2457 2001 2112 333 1559 2179 2246 176 -1725 -1115 1016 -1128 2682 2396 -433 -4667 -6860 -2803 -1574 -871 -88 -624 -443 -528 9 85 1554 -278 -315 -539 -1154 283 829 986 922 902 423 2060 -18 47 -108 762 1117 1946 2454 1968 48 -1413 -858 -627 2332 1429 336 571 1181 1529 -182 -842 -1853 -2837 -1340 -2267 -2589 -2306 -3182 -1771 -121 161 1245 1096 1068 1013 418 -454 -1190 438 -764 -295 794 809 302 -1024 -1087 -1854 -148 -902 -1504 -1712 -983 -498 662 1095 1418 988 886 -7 41 236 -68 393 872 61 509 392 864 690 1532 -485 -468 800 -256 -318 -1022 -960 -191 278 669 -129 390 712 451 -277 -385 -1373 -558 396 -426 309 -1087 -131 -586 177 322 226 -1505 -1745 -567 -362 387 18 650 -463 670 1068 896 955 153 719 1044 1127 85 -885 -537 452 -503 1198 1148 -223 -2488 -3591 -1411 -804 -520 -57 -433 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