File name: Pandora55s1_QueensNY_20230530_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T113931.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230530_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230530 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 --------------------------------------------------------------------------------------- SU 20230530T113424.0Z 8550.482222 354 1 50.58 2 68.35 79.35 136.93 325.31 0.00 1 0.00 1 0 17 5.057e-01 7.147e-02 2.886e-02 2.872e-03 3.741193e-01 1.502717e-03 4.672671e-03 -6.000000e+00 3.045086e-01 231.98 -2.00 3.51 -2.00 318.51 0.00e+00 3.524113e-02 3.081727e-04 8.924237e-04 -6.000000e+00 1.356868e-02 285.13 -2.00 20.00 -2.00 317.79 0.00e+00 2.686 0.000 302.00 328.00 3 4.5444e+00 4.0928e-03 3.6290e-02 -6.0000e+00 7.6303e-01 3.4797e-01 4.5863e-03 4.1232e-02 -6.0000e+00 8.2387e-01 -4.9663e-01 2.8005e-03 1.8171e-02 -6.0000e+00 4.9057e-01 2.5447e-01 1.4537e-03 2.6780e-02 -6.0000e+00 2.0550e-01 2.0133e-04 -1.5549e-03 8.4454e-05 2.8585e-04 -6.0000e+00 1.5118e-02 6.4538e-03 0.0000e+00 12 8 8 10 0 0 40.08 22.68 0.23 0.00645 -0.00523 13 2 1 5 0 3889.920 26.00 20.00 22.68 21.03 35.1 1062.56 106659 117413 900000 117231 180072 206965 134305 233915 100248 62634 31560 25817 36222 66585 138437 95415 74794 -97876 143968 117352 120511 91520 78428 38284 36127 19026 60091 14011 19529 24744 43740 59287 51117 40807 47812 64438 33514 22606 24790 19358 2630 7487 -2593 5133 9200 23645 15538 29512 26928 27103 21106 17335 11608 18111 12865 4625 2744 -5702 -6539 -7450 -2772 4433 5375 2088 7283 2319 9348 3765 3692 968 -3125 -2060 -3365 -6806 -3993 -7294 -5484 -2902 -3721 -3228 -2926 850 -2353 -3768 -6112 -5262 -6941 -5202 -5766 -3239 -3311 -3535 -2888 -3431 -4789 -3481 -2962 -1078 -185 -239 1607 1150 1499 1747 404 -1554 -1116 -1342 89 2052 1503 186 894 221 -176 61 563 2059 1790 1522 959 2099 3788 3859 2204 1364 1808 2580 2277 1714 3407 2431 2555 1307 738 -476 -201 -855 -1356 -2305 -2007 -2256 -2423 -3074 5922 7040 900000 7457 5772 4445 4889 3008 4116 3354 2102 1838 2779 5034 6917 8586 9192 -57629 10630 11418 11354 10773 9519 6039 5245 2983 6190 2190 2980 3880 6548 8979 9433 8767 9523 10391 6992 5422 6336 5610 927 2645 -1039 2032 3693 8835 6433 11105 10454 10618 8883 7847 5766 8795 6592 2498 1474 -3191 -3619 -4167 -1547 2502 3296 1425 5039 1674 6155 2478 2425 686 -2449 -1683 -2812 -5726 -3159 -5581 -3849 -1900 -2474 -2301 -2316 717 -2175 -3678 -6261 -5586 -7764 -5960 -6771 -3742 -3742 -3817 -2925 -3326 -4682 -3574 -3305 -1298 -239 -322 2140 1474 1809 2026 478 -1937 -1447 -1802 123 2931 2265 294 1430 350 -270 89 797 2894 2590 2297 1502 3306 5850 5836 3291 1987 2550 3530 3151 2489 5164 3864 4162 2180 1267 -847 -368 -1594 -2556 -4384 -3758 -4135 -4309 -5392 SU 20230530T113710.8Z 8550.484153 357 1 52.00 2 67.83 79.77 137.22 326.19 0.00 1 0.00 1 0 17 1.125e-01 1.359e-02 2.366e-02 2.694e-03 3.991795e-01 1.424203e-03 4.675428e-03 -6.000000e+00 6.778032e-02 231.98 -2.00 3.51 -2.00 318.58 0.00e+00 -1.207669e-03 3.019486e-04 2.923180e-04 -6.000000e+00 3.018831e-03 285.13 -2.00 20.00 -2.00 317.81 0.00e+00 2.627 0.000 302.00 328.00 3 4.6461e+00 3.9022e-03 3.3807e-02 -6.0000e+00 1.6984e-01 2.9773e-02 4.4630e-03 2.1011e-02 -6.0000e+00 1.8336e-01 -8.2005e-04 3.0512e-03 1.0280e-02 -6.0000e+00 1.0918e-01 -5.8282e-03 1.5748e-03 2.9310e-03 -6.0000e+00 4.5759e-02 2.1863e-04 -5.6382e-04 8.3088e-05 3.4323e-05 -6.0000e+00 3.3631e-03 3.6142e-03 0.0000e+00 12 9 8 11 32 0 42.30 22.68 0.31 0.00361 -0.00062 14 3 1 5 0 3713.520 26.00 20.00 22.68 21.02 35.1 1062.64 59087 -52926 900000 23395 -3682 34333 -10416 1441 4768 -9381 -19629 -23588 -29183 -8911 45971 4953 -341 5424 36958 16757 22305 1931 3826 -17167 -3749 -5725 37570 -2711 -6262 -8257 3338 4704 -889 -12541 -5109 14425 -6112 -8577 -3571 2601 -4670 3791 -5671 -3147 -1958 5188 -4315 4106 501 2491 -165 -1954 3310 4716 4228 966 1376 1760 3169 1104 2092 4052 656 -2733 1112 -4055 2123 -1344 825 1521 435 947 904 -1473 2120 -325 1528 230 -11 -1669 -1380 866 -709 -676 -2624 -555 -1657 -1033 -1135 524 -93 -41 824 988 405 1211 -325 129 -156 -1230 -193 -683 -167 1189 674 -298 -28 -1223 -583 1288 532 -946 219 -350 -571 33 590 1182 144 -266 -1496 -432 1009 1396 -45 -557 -133 1117 176 -186 1324 431 737 543 544 -382 707 7 -149 -916 -393 -647 -156 -279 1109 -3229 900000 737 -141 880 -419 58 211 -515 -1240 -1615 -2340 -686 2480 445 -35 565 3033 1743 2277 242 482 -2771 -575 -949 4300 -439 -1009 -1328 503 770 -169 -2816 -1081 2509 -1317 -2112 -992 798 -1714 1393 -2354 -1306 -810 2034 -1825 1617 203 1010 -71 -906 1575 2344 2218 538 785 1013 1796 628 1184 2333 414 -1893 782 -2965 1426 -900 551 1088 341 783 766 -1260 1705 -251 1084 156 -8 -1210 -1099 741 -661 -661 -2715 -591 -1861 -1196 -1337 608 -106 -44 837 964 398 1246 -364 155 -201 -1660 -257 -878 -203 1385 801 -371 -37 -1648 -808 1839 801 -1493 348 -555 -875 48 831 1658 208 -400 -2338 -680 1558 2111 -67 -809 -187 1526 244 -270 2002 682 1197 900 926 -677 1285 13 -280 -1735 -733 -1181 -275 -488 SU 20230530T114106.8Z 8550.486884 363 1 48.98 2 67.10 80.36 137.63 327.45 0.00 1 0.00 1 0 17 2.112e-01 1.318e-02 3.666e-02 2.605e-03 3.834881e-01 1.370993e-03 4.509402e-03 -6.000000e+00 1.272469e-01 231.98 -2.00 3.51 -2.00 318.43 0.00e+00 1.753441e-04 2.763285e-04 1.577937e-04 -6.000000e+00 5.600262e-03 285.13 -2.00 20.00 -2.00 317.66 0.00e+00 2.549 0.000 302.00 328.00 3 4.6273e+00 3.7385e-03 3.2675e-02 -6.0000e+00 3.1884e-01 2.6439e-02 4.2539e-03 2.0193e-02 -6.0000e+00 3.4423e-01 -1.0298e-02 2.8342e-03 9.8133e-03 -6.0000e+00 2.0486e-01 2.0401e-03 1.4567e-03 2.6866e-03 -6.0000e+00 8.5560e-02 2.4546e-04 -5.0221e-04 8.0133e-05 3.2065e-05 -6.0000e+00 6.3099e-03 3.7191e-03 0.0000e+00 12 9 8 11 32 0 25.43 22.69 0.60 0.00372 -0.00005 14 3 1 5 0 3497.790 26.00 20.01 22.69 21.05 35.1 1063.21 16484 -40201 200074 -47750 -6075 28563 -18007 83032 -11352 -5837 -31134 -25155 14155 -4703 29988 -6060 -18997 49103 28364 11395 20683 7865 6927 2683 191 -5103 28720 -4125 5766 -8083 -4270 3895 -3324 -8862 -6841 14041 -6825 -6899 -175 2210 -3655 1176 -5531 -3524 -684 4269 -3294 -1114 2674 3243 -878 -696 -3142 3941 3446 1126 3718 1619 1839 1079 333 3155 1400 -1320 1571 1688 2221 -936 1549 592 -1079 704 1148 -1769 1779 -955 887 878 -375 -1453 -1621 -641 -1417 -484 -2879 -380 -1874 -599 -1232 -195 -158 410 709 1037 577 720 1657 185 -332 -983 -647 -787 -263 866 155 -588 -539 -1317 214 1140 392 382 33 -260 -401 -259 466 1031 342 -237 -358 -241 466 765 -29 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