File name: Pandora55s1_QueensNY_20240820_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T144243.8Z 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_20240820_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: 20240820 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 --------------------------------------------------------------------------------------- SS 20240820T114808.2Z 8998.491762 241 1 50.27 2 72.75 88.62 99.54 262.91 0.00 1 0.00 1 0 25 2.246e-01 1.157e-02 7.421e-02 2.591e-03 4.519125e-01 1.375833e-03 5.297562e-03 -6.000000e+00 1.350422e-01 231.33 -2.00 3.51 -2.00 319.43 0.00e+00 2.032491e-03 3.840545e-04 2.397084e-04 -6.000000e+00 6.149280e-03 289.88 -2.00 20.00 -2.00 318.62 0.00e+00 3.322 0.001 302.00 328.00 3 3.6387e+00 3.9277e-03 4.1011e-02 -6.0000e+00 3.3728e-01 4.0047e-02 4.6310e-03 2.4186e-02 -6.0000e+00 3.6398e-01 -1.3358e-02 3.4490e-03 1.1718e-02 -6.0000e+00 2.1750e-01 1.6266e-04 1.7882e-03 3.8975e-03 -6.0000e+00 9.1723e-02 2.8696e-04 -1.0369e-03 7.9642e-05 4.3207e-05 -6.0000e+00 6.7146e-03 2.9465e-03 0.0000e+00 12 8 8 10 0 0 99.94 22.53 0.30 0.00295 -0.00485 56 11 1 5 0 897.520 26.21 20.00 22.53 23.47 37.7 1044.74 -64892 -51568 900000 -77227 -9380 -12576 -4375 203398 11807 -5370 -36730 -32798 -31493 -23115 58580 -7032 -21462 3745 36214 30192 -16378 6145 2355 -15541 -4960 -6295 42010 -3603 -7624 -21471 864 5700 1820 -6887 420 17893 -7172 -7100 4939 3859 -4929 407 -5069 -1405 -1147 6485 -4482 4852 2370 5381 -1026 259 -1892 6363 5548 1414 5194 1113 3271 -1179 1949 4176 1310 -2031 2097 -2570 2653 -285 705 2285 -227 337 -26 -1524 955 -845 835 2962 638 -449 -1476 1159 -1534 -1526 -2082 -852 -1722 -1131 -1424 -794 -573 -339 332 1345 1206 1211 -242 374 -443 -147 -418 -418 220 1126 438 -910 -361 -972 230 965 420 -1101 220 -136 -364 286 869 1558 327 -161 -1469 -420 159 759 -23 395 -105 1272 797 -106 579 350 811 355 506 -770 112 199 -507 -711 -355 -336 -165 230 -1961 -1600 900000 -3274 -204 -268 -89 653 255 -147 -1398 -1277 -1372 -1114 1598 -405 -1566 234 1796 1668 -1440 448 181 -1476 -457 -620 2726 -352 -754 -2405 84 595 221 -978 57 2018 -1047 -1157 852 792 -1239 106 -1455 -404 -333 1787 -1371 1374 692 1569 -332 89 -718 2395 2224 610 2234 503 1446 -535 864 1894 657 -1136 1201 -1545 1478 -159 397 1377 -154 242 -19 -1131 668 -562 507 1671 368 -280 -1040 886 -1302 -1376 -1974 -841 -1800 -1220 -1571 -870 -608 -342 314 1215 1101 1175 -259 436 -563 -195 -553 -530 261 1278 506 -1110 -459 -1285 314 1376 637 -1770 359 -220 -572 429 1255 2233 485 -250 -2375 -681 254 1183 -35 585 -151 1774 1127 -158 919 583 1395 628 922 -1470 220 399 -1030 -1451 -713 -658 -312 427 SS 20240820T121738.5Z 8998.512252 257 1 4.86 2 67.17 93.48 104.80 267.58 0.00 1 0.00 1 0 25 5.150e-02 9.124e-03 2.519e-02 5.517e-03 3.550304e-01 2.903538e-03 4.236584e-03 -6.000000e+00 3.097410e-02 231.33 -2.00 3.51 -2.00 317.79 0.00e+00 6.244222e-05 4.901657e-04 9.941218e-05 -6.000000e+00 1.393141e-03 289.88 -2.00 20.00 -2.00 316.93 0.00e+00 2.556 0.000 302.00 328.00 3 3.5906e+00 7.7942e-03 3.1716e-02 -6.0000e+00 7.7358e-02 3.6935e-02 8.7927e-03 1.8666e-02 -6.0000e+00 8.3469e-02 -1.1630e-02 5.4188e-03 9.0403e-03 -6.0000e+00 4.9849e-02 1.1663e-03 2.7167e-03 2.4583e-03 -6.0000e+00 2.0968e-02 7.1896e-04 -7.2423e-04 1.6894e-04 3.0552e-05 -6.0000e+00 1.5382e-03 -6.6804e-04 0.0000e+00 12 9 1 12 1 1 999.00 22.51 0.32 -0.00067 -0.00611 2 6 1 5 0 1616.030 26.21 19.97 22.51 24.06 37.6 1047.50 -9751 -19937 32491 -15366 -5803 -9099 -19290 24886 73 3576 -10909 554 -10054 -1305 7126 -1996 -8320 766 5158 -565 -988 -906 8893 -2615 1834 1127 5272 -3311 -3006 -738 164 5482 1060 646 -3658 7467 -1662 1121 -1820 1742 -1699 -499 -3995 -28 1053 1056 -1539 -1838 822 509 -866 -490 -293 1583 837 745 2218 884 -253 -162 1486 3108 1137 -719 -100 -905 1520 -388 2553 894 1568 -416 -172 -1344 527 269 407 922 769 1095 3 1107 -1667 -1461 -1536 -1358 -1557 -1235 -932 -183 228 -71 408 424 1134 985 427 113 -467 -541 -451 -931 -121 607 -170 -976 -457 365 -291 223 -140 -366 697 193 -61 -171 828 1037 865 -453 -1051 -221 54 -231 610 289 335 1521 -507 346 849 728 863 169 -4 154 -380 -123 -289 -517 -300 16 -799 41 -664 -1683 1790 -1301 -424 -646 -1539 1452 6 306 -1102 52 -1142 -157 917 -313 -1488 134 909 -109 -197 -183 1674 -565 404 262 1209 -803 -698 -165 37 1290 283 182 -1073 1955 -479 348 -665 709 -784 -243 -2066 -14 539 543 -805 -957 418 262 -461 -274 -172 963 533 487 1469 596 -171 -108 987 2100 822 -557 -80 -728 1159 -291 1884 707 1329 -376 -158 -1243 469 228 323 694 574 852 3 1006 -1646 -1502 -1639 -1506 -1801 -1470 -1126 -220 267 -79 434 434 1151 1043 483 137 -603 -722 -601 -1199 -149 720 -205 -1230 -595 486 -401 317 -208 -563 1080 296 -91 -245 1142 1423 1214 -664 -1592 -338 82 -346 890 412 464 2044 -692 486 1248 1109 1343 268 -7 259 -657 -217 -515 -925 -531 27 -1358 68 SS 20240820T122734.1Z 8998.519145 260 1 50.48 2 65.29 95.16 106.58 269.16 0.00 1 0.00 1 0 25 1.117e-02 6.465e-03 1.172e-03 3.350e-04 3.340916e-01 1.762489e-04 4.006010e-03 -6.000000e+00 6.717077e-03 231.33 -2.00 3.51 -2.00 317.40 0.00e+00 3.121930e-05 2.669523e-05 1.149751e-04 -6.000000e+00 3.021400e-04 289.88 -2.00 20.00 -2.00 316.54 0.00e+00 2.376 0.000 302.00 328.00 3 1.0010e+00 4.6900e-04 2.9607e-02 -6.0000e+00 1.6776e-02 2.1257e-02 5.2685e-04 1.7533e-02 -6.0000e+00 1.8102e-02 -6.8563e-03 3.1517e-04 8.4997e-03 -6.0000e+00 1.0811e-02 -1.4628e-03 1.5431e-04 2.3225e-03 -6.0000e+00 4.5467e-03 1.1836e-02 -5.6587e-04 1.0236e-05 2.9307e-05 -6.0000e+00 3.3362e-04 5.6900e-05 0.0000e+00 11 8 0 10 0 0 99.86 22.53 0.19 0.00006 -0.00420 658 124 1 5 0 76.700 26.21 20.01 22.53 24.23 37.7 1049.15 -2051 -3539 -3089 -6005 -3311 -3461 -1250 -691 -1023 -2489 -1989 -253 -535 480 542 -163 -824 -219 656 773 -710 837 1008 518 342 46 -505 -1192 172 1038 1452 1333 1438 -1231 -1041 47 -86 238 361 -493 -1186 -798 -1206 -853 -675 -374 -830 -564 -488 504 900 690 1030 858 790 598 930 261 737 864 1525 1429 1333 628 -603 -94 99 550 1339 924 68 -416 -749 -572 -873 -240 208 532 1379 354 115 -714 -1468 -1314 -1138 -1120 -822 -630 -533 -627 -164 321 490 1441 1566 1354 877 832 -323 -591 -426 -582 -3 729 47 -854 -408 -762 -150 -87 -124 -377 -276 -124 27 667 910 882 649 -91 -701 -502 -289 -326 126 178 499 1389 1173 474 521 16 320 188 253 -286 -227 103 -463 -489 -278 -204 -205 126 -177 -351 -323 -635 -316 -311 -112 -68 -114 -304 -250 -32 -69 71 93 -32 -177 -46 143 176 -170 199 243 131 92 13 -148 -344 47 270 387 388 460 -401 -339 15 -28 85 145 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