File name: Pandora64s1_NewHavenCT_20230628_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230703T210630.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230628_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20230628 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20230628T125651.0Z 8579.539479 193 1 19.43 2 52.35 90.78 150.63 15.22 0.00 1 0.00 1 0 17 2.049e-02 9.580e-03 1.133e-02 4.467e-03 2.511367e-01 2.428076e-03 3.011585e-03 -6.000000e+00 1.264273e-02 232.95 -2.00 3.52 -2.00 316.76 0.00e+00 7.048548e-04 3.085299e-04 7.619750e-05 -6.000000e+00 5.582456e-04 287.70 -2.00 20.00 -2.00 315.97 0.00e+00 1.633 0.000 302.00 328.00 3 5.9478e+00 6.4008e-03 2.1225e-02 -6.0000e+00 3.1747e-02 4.4071e-02 7.1216e-03 1.3266e-02 -6.0000e+00 3.4146e-02 2.9588e-03 4.1545e-03 6.4110e-03 -6.0000e+00 2.0313e-02 -6.6645e-03 1.9614e-03 1.8079e-03 -6.0000e+00 8.5997e-03 1.9290e-04 1.4354e-04 1.3858e-04 2.2239e-05 -6.0000e+00 6.0976e-04 -1.0854e-02 8.1587e-05 12 9 9 12 41 1 99.93 21.75 0.08 -0.01085 -0.00978 4 3 1 5 0 3848.880 26.21 19.97 21.75 29.98 38.5 1058.96 -97 1845 -244 -3381 -14135 4047 -5656 1064 1283 152 -6505 -4202 -1217 2752 -905 879 -341 -764 -670 3775 1980 3640 4691 2399 -1075 1694 2504 -2145 733 1851 -1163 -844 4866 -652 -3550 -175 -905 -2597 1910 -1605 2 -1131 -637 -2397 77 407 426 -1110 -52 -3502 -202 -1092 1476 698 615 -39 1651 -159 581 -802 882 15 2080 2294 1553 -1423 -1217 -1376 732 1570 1308 1321 379 263 324 -864 361 -1112 255 170 -1442 -659 -1785 -2249 -287 -500 371 202 535 616 125 998 -1534 -527 224 1506 -716 1347 182 -108 -1146 -348 -2323 147 720 -1426 -882 -524 -374 1041 776 716 16 597 -1115 -188 -27 -452 662 576 -227 -94 258 269 501 827 -1079 542 1020 521 483 -486 -216 -520 605 32 -397 167 452 -547 3 -847 -14 265 -36 -494 -2103 504 -833 163 213 26 -1129 -763 -243 598 -229 236 -95 -225 -203 1135 611 1097 1456 762 -366 575 825 -725 230 582 -403 -293 1724 -242 -1272 -63 -368 -1254 995 -938 1 -727 -419 -1602 50 263 268 -696 -32 -2261 -135 -777 1073 514 461 -30 1266 -123 439 -622 703 13 1804 2070 1359 -1230 -1008 -1136 622 1473 1256 1301 369 255 289 -734 281 -860 210 151 -1432 -683 -1895 -2532 -329 -608 466 258 675 734 143 1084 -1590 -543 246 1729 -889 1724 241 -139 -1444 -420 -2795 177 924 -1874 -1215 -724 -544 1527 1181 1075 24 847 -1493 -249 -36 -616 925 842 -337 -136 363 372 684 1076 -1375 704 1357 733 686 -710 -323 -791 966 51 -655 280 749 -886 5 -1337 SS 20230628T130542.6Z 8579.545632 199 1 16.96 2 50.68 92.28 150.19 19.32 0.00 1 0.00 1 0 17 2.944e-02 1.037e-02 9.071e-03 3.843e-03 2.440640e-01 2.092274e-03 2.927836e-03 -6.000000e+00 1.817597e-02 232.95 -2.00 3.52 -2.00 316.59 0.00e+00 6.899027e-04 2.539970e-04 1.731879e-04 -6.000000e+00 8.021868e-04 287.70 -2.00 20.00 -2.00 315.81 0.00e+00 1.575 0.000 302.00 328.00 3 5.6805e+00 5.5115e-03 2.0506e-02 -6.0000e+00 4.5641e-02 4.2407e-02 6.1227e-03 1.2825e-02 -6.0000e+00 4.9083e-02 -9.0403e-03 3.5530e-03 6.2056e-03 -6.0000e+00 2.9199e-02 5.8006e-04 1.6608e-03 1.7218e-03 -6.0000e+00 1.2367e-02 2.7129e-04 5.3095e-04 1.1919e-04 2.1204e-05 -6.0000e+00 8.7589e-04 -1.1469e-02 1.9632e-04 12 9 9 12 1 1 99.98 21.75 -0.14 -0.01147 -0.00748 6 5 1 5 0 2397.490 26.21 20.01 21.75 30.19 38.3 1060.16 -1649 2231 587 -812 -29434 4157 -1609 -897 825 4991 -5789 835 -2390 -2196 -504 1838 -620 3589 1275 2711 1821 3264 3148 3580 -355 113 -245 -1403 -1538 10 922 871 2476 506 -5037 -855 -2959 -732 658 118 -192 -1257 -192 -70 -218 249 -414 -817 -367 -2540 1402 149 1700 1552 755 198 1475 -613 -122 -472 1068 501 1335 2256 1475 -1600 273 -1244 978 1371 1575 792 179 269 -405 -1611 587 -2563 -1152 -641 -1487 -853 -1969 -2366 -48 -875 47 861 1150 471 364 -215 -1471 101 -136 893 -510 628 388 -289 -588 -1641 -1693 108 50 -1344 -519 -374 -329 1147 1047 934 -92 530 -175 -827 153 158 230 465 305 235 674 502 812 911 -1220 756 895 637 438 -565 -891 -217 456 -216 -337 370 299 -609 -153 -975 -264 360 97 -124 -5448 579 -254 -148 145 870 -1106 159 -531 -549 -139 508 -181 1048 392 851 581 1018 1020 1211 -129 42 -89 -482 -504 3 317 316 953 197 -1940 -328 -1294 -348 365 71 -124 -815 -127 -46 -143 162 -275 -535 -235 -1692 955 104 1227 1177 586 158 1173 -492 -96 -378 844 428 1205 2021 1334 -1372 220 -1012 851 1272 1547 805 180 258 -375 -1361 469 -2062 -986 -585 -1453 -872 -2142 -2627 -56 -1055 59 1082 1427 577 411 -233 -1557 106 -147 1013 -621 824 505 -377 -725 -1971 -1990 132 63 -1800 -702 -526 -472 1711 1566 1380 -135 739 -236 -1080 201 211 328 669 443 335 963 681 1087 1164 -1584 960 1210 879 632 -812 -1318 -334 714 -353 -545 607 488 -1000 -244 -1515 SS 20230628T130945.2Z 8579.548439 202 1 15.71 2 49.92 92.98 149.95 21.15 0.00 1 0.00 1 0 25 1.037e-02 7.402e-03 7.759e-04 4.259e-04 2.323143e-01 2.338288e-04 2.808304e-03 -6.000000e+00 6.394987e-03 232.95 -2.00 3.52 -2.00 315.84 0.00e+00 2.379937e-04 2.393670e-05 4.869679e-05 -6.000000e+00 2.824302e-04 287.70 -2.00 20.00 -2.00 315.10 0.00e+00 1.550 0.000 302.00 328.00 3 1.6913e+00 6.0974e-04 1.9913e-02 -6.0000e+00 1.6058e-02 2.0468e-03 6.7456e-04 1.2226e-02 -6.0000e+00 1.7274e-02 -1.5578e-03 3.8620e-04 5.9165e-03 -6.0000e+00 1.0276e-02 -2.4251e-03 1.7379e-04 1.6153e-03 -6.0000e+00 4.3490e-03 1.5638e-02 -2.9608e-04 1.3179e-05 2.1905e-05 -6.0000e+00 3.0862e-04 -1.0441e-02 1.8117e-05 12 9 1 12 9 1 97.98 21.76 0.18 -0.01044 -0.01267 207 155 1 5 0 74.660 26.21 20.00 21.76 30.34 38.3 1061.31 515 -1241 -69 -3082 -4423 -1579 -555 868 1297 406 -2878 -1155 357 -116 850 801 -845 731 330 1583 1344 -433 947 788 429 1032 609 -792 -556 258 1739 29 2187 242 -3992 -2023 -1390 -957 142 104 -1052 -1253 -500 -1049 -605 7 -787 -152 -651 -339 1045 936 695 1335 270 716 1098 617 120 536 506 1203 912 1893 619 -1263 -67 -1157 676 1604 163 320 -230 430 268 -446 -455 -1598 -369 -176 -1180 -730 -1876 -2069 -480 -478 -78 -72 649 388 324 637 -470 307 1054 473 -142 856 471 -487 -290 -1156 -1506 150 470 -1294 -326 -713 -391 149 583 213 124 142 -26 115 717 -147 490 301 -177 -352 521 32 935 1159 -583 574 1069 379 596 -396 -628 -388 419 -141 -546 213 81 -459 28 -618 117 -300 -17 -693 -921 -321 -120 205 332 108 -778 -301 103 -38 307 288 -317 282 132 646 554 -181 405 354 188 459 265 -349 -232 108 761 13 1006 112 -1812 -938 -715 -537 88 68 -748 -925 -376 -792 -454 5 -571 -108 -454 -239 775 696 543 1087 226 609 895 527 102 457 428 1086 838 1791 570 -1144 -57 -996 625 1559 163 328 -233 434 250 -396 -395 -1368 -319 -162 -1152 -777 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