File name: Pandora64s1_NewHavenCT_20241124_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241125T044549.5Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241124_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: 20241124 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 20241124T123736.2Z 9094.526113 275 1 26.11 2 83.36 125.18 37.29 197.06 0.00 1 0.00 1 0 25 4.355e-01 3.447e-02 2.047e-01 1.270e-02 9.529937e-01 7.346950e-03 1.187973e-02 -6.000000e+00 2.583374e-01 223.02 -2.00 3.52 -2.00 322.05 0.00e+00 3.837506e-02 3.626232e-03 1.578394e-03 -6.000000e+00 1.143563e-02 279.11 -2.00 20.00 -2.00 321.62 0.00e+00 7.867 0.009 302.00 328.00 3 5.7948e-01 2.6027e-02 1.0153e-01 -6.0000e+00 6.3548e-01 1.6514e+00 2.9970e-02 8.8397e-02 -6.0000e+00 6.9003e-01 -2.0925e+00 1.9819e-02 2.5124e-02 -6.0000e+00 4.1166e-01 8.4974e-01 1.0512e-02 3.1794e-02 -6.0000e+00 1.7592e-01 3.5200e-05 -3.9308e-03 3.3175e-04 5.1247e-04 -6.0000e+00 1.2930e-02 2.2785e-03 -9.4898e-05 12 9 9 12 1 1 99.78 21.13 0.20 0.00228 -0.02726 26 12 1 5 0 967.010 25.68 19.99 21.13 14.27 38.9 970.19 128671 51754 119084 56143 -107449 62652 51208 -57948 -32936 -21346 -59525 7536 32296 1172 118003 67552 62485 143292 69114 97709 43070 74047 113658 63506 20172 10429 -36469 -6055 -3611 -52244 -27862 108636 31939 98683 921 76646 47145 75819 14221 75733 51859 67621 29931 35435 18190 66507 46267 82100 21468 33751 49842 72751 81301 69617 47143 27472 16795 28774 45767 18067 18637 24697 37589 9069 61174 26404 16920 28594 30774 22096 21222 18124 11264 6666 -1775 -11689 25179 -5919 4376 4394 8407 -1573 -464 -5645 2411 -5632 3912 -6424 2353 -363 -5091 -8960 -8222 -12665 -2772 -3273 -1395 -2001 3270 -1101 -2494 -2868 -7167 -6557 -2929 -7129 -2982 -2923 -3272 -2156 -968 -1060 -759 -899 325 -2586 438 -30 2331 3451 1278 3932 3692 4646 3460 2909 -1822 1132 1949 2174 1571 56 -791 -904 -27 8 -168 291 442 -612 -1012 -2330 3453 2909 3564 2607 -17109 1681 1216 -3349 -1258 -639 -2519 202 967 67 2679 2998 3160 3401 3352 3328 2222 2369 2303 1787 687 355 -1882 -231 -149 -4367 -2387 3058 1978 3333 67 2675 2043 2817 954 3155 2569 3197 1977 2267 1427 3669 3008 4344 2016 2996 4115 5105 5454 5388 4427 3005 1941 2762 3542 1865 2058 2931 4539 1657 6945 4224 3073 4810 5590 4834 4468 3885 2404 1452 -372 -2461 3690 -1313 1066 1206 2587 -609 -190 -2549 1059 -2785 1815 -3329 1101 -166 -2289 -4063 -3775 -6805 -1614 -2149 -1067 -1789 2979 -1029 -2186 -2228 -5306 -4901 -2244 -5966 -2607 -2834 -3665 -2769 -1388 -1513 -1100 -1287 480 -3651 624 -45 3583 5248 1900 5771 5258 6337 4671 3896 -2584 1761 3316 4238 3451 128 -1939 -2372 -74 22 -480 834 1228 -1604 -2466 -5713 SS 20241124T140612.9Z 9094.587650 325 1 48.08 2 71.36 142.51 46.41 226.96 0.00 1 0.00 1 0 25 1.419e-01 1.428e-02 3.855e-02 3.527e-03 4.448784e-01 1.864499e-03 5.323297e-03 -6.000000e+00 8.430459e-02 223.02 -2.00 3.52 -2.00 319.45 0.00e+00 3.645883e-03 5.081685e-04 8.505116e-04 -6.000000e+00 3.728975e-03 279.11 -2.00 20.00 -2.00 318.85 0.00e+00 3.089 0.000 302.00 328.00 3 4.5767e+00 5.1881e-03 3.8221e-02 -6.0000e+00 2.0739e-01 8.4517e-02 6.0616e-03 2.2667e-02 -6.0000e+00 2.2507e-01 -5.3004e-02 4.6377e-03 1.2262e-02 -6.0000e+00 1.3427e-01 1.7997e-02 2.4213e-03 5.1283e-03 -6.0000e+00 5.7465e-02 1.3997e-04 5.8881e-04 1.0980e-04 6.0196e-05 -6.0000e+00 4.2139e-03 1.7047e-04 2.0822e-04 12 8 8 10 0 0 99.96 21.13 0.18 0.00017 0.00460 55 13 1 5 0 874.150 25.68 20.00 21.13 14.76 38.8 971.42 -27530 -9702 -29592 -11030 -139082 9444 -37044 -11874 -21295 8446 -31318 3293 -19137 -379 -4398 12816 2592 25230 -6369 12684 2116 23243 5898 7641 -5405 11894 -9401 -239 -928 -13608 -3499 7804 2240 1693 -381 2118 -156 792 1864 1428 1892 1029 2541 -3037 2588 1673 2779 1281 3590 -1898 5507 6413 6013 1099 2373 -564 1119 -1948 2023 481 2402 778 3111 874 3857 -1704 1546 -120 1447 887 1231 -267 46 -1124 -947 -1621 1614 -4157 -1637 -526 -1987 -2177 -2206 -3008 -1129 -1176 72 -182 1377 689 247 650 -1530 -440 334 640 -462 1212 501 -445 -908 -1428 -2828 524 -223 -1545 -953 596 -272 853 709 580 52 800 -387 -355 265 10 413 614 -223 373 754 594 1236 894 -1559 1209 701 600 128 -558 -505 -148 338 -258 -605 362 267 -422 -204 -738 -811 -260 -996 -284 -11224 202 -1265 -350 -753 232 -1323 113 -1001 -20 -265 732 176 1475 -534 919 171 1524 484 652 -548 1047 -1013 -23 -88 -1588 -420 927 313 238 -52 298 -25 141 390 343 487 281 711 -906 741 489 805 383 1070 -631 1861 2316 2328 446 977 -246 484 -857 842 206 1070 386 1654 508 2142 -951 829 -67 889 611 895 -190 33 -780 -598 -939 865 -2412 -1041 -379 -1541 -1875 -2012 -2927 -1158 -1205 75 -194 1425 715 239 587 -1360 -404 338 686 -560 1593 681 -587 -1124 -1630 -3170 601 -275 -2010 -1310 855 -404 1353 1190 977 85 1223 -563 -503 383 16 658 1002 -362 586 1147 861 1806 1259 -2207 1776 1076 993 226 -977 -920 -283 684 -515 -1234 741 539 -858 -398 -1391 SS 20241124T154537.4Z 9094.656683 386 1 48.30 2 63.23 166.14 62.34 249.81 0.00 1 0.00 1 0 25 1.316e-02 7.444e-03 7.856e-04 2.232e-04 3.264794e-01 1.170248e-04 3.963921e-03 -6.000000e+00 7.812743e-03 223.01 -2.00 3.52 -2.00 317.40 0.00e+00 4.224774e-04 1.768374e-05 1.434108e-04 -6.000000e+00 3.456440e-04 279.10 -2.00 20.00 -2.00 316.77 0.00e+00 2.208 0.000 302.00 328.00 3 7.4323e-01 3.0583e-04 2.7525e-02 -6.0000e+00 1.9219e-02 8.5924e-03 3.4385e-04 1.6490e-02 -6.0000e+00 2.0863e-02 -6.6731e-04 2.1080e-04 8.2431e-03 -6.0000e+00 1.2446e-02 -4.3525e-03 1.0552e-04 2.3927e-03 -6.0000e+00 5.3233e-03 1.8439e-02 -1.1543e-05 6.8830e-06 2.9422e-05 -6.0000e+00 3.9087e-04 -7.1987e-04 -1.1335e-05 11 8 0 10 0 0 99.99 21.14 0.20 -0.00072 -0.00081 1522 366 1 5 0 31.730 25.68 20.00 21.14 16.33 39.0 979.43 105 -2192 -934 -4673 -6317 -3369 -2119 -796 -606 -1760 -4783 -2790 -1052 -663 918 510 -903 847 121 1499 642 -585 554 734 129 979 1 -1286 -1217 -207 1340 -88 2017 -583 -4663 -2361 -1973 -943 199 172 -908 -757 -141 -666 -123 204 -565 102 -549 -48 1338 872 889 1501 262 999 1191 638 181 441 670 1467 1341 2289 584 -1177 -246 -1413 802 1473 262 421 -219 497 -50 -850 -842 -1952 -517 -450 -1215 -775 -2053 -1951 -477 -465 120 186 904 413 392 375 -692 66 862 325 -32 1132 518 -497 -464 -1559 -1634 276 302 -1352 -293 -774 -160 369 827 305 246 83 -174 -92 541 -206 619 369 -170 -275 649 9 1007 784 -850 597 915 372 480 -520 -660 -355 436 -156 -472 345 176 -399 75 -732 10 -218 -93 -438 -560 -296 -200 -83 -69 -211 -596 -346 -149 -108 168 102 -192 188 28 357 155 -132 131 183 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