File name: Pandora55s1_QueensNY_20211201_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105150.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211201_L1_smca1c19d20211111p1-8.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: 20211201 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: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20211201T134925.0Z 8005.575983 197 1 49.34 2 74.66 138.28 51.18 172.58 0.00 1 0.00 1 0 25 1.078e-01 7.052e-03 2.098e-02 1.125e-03 5.214425e-01 5.799068e-04 6.163473e-03 -6.000000e+00 6.265977e-02 223.03 -2.00 3.51 -2.00 319.47 0.00e+00 1.147236e-03 1.640449e-04 5.321354e-04 -6.000000e+00 2.783204e-03 278.79 -2.00 20.00 -2.00 318.86 0.00e+00 3.710 0.001 302.00 328.00 3 1.6424e+00 1.6236e-03 4.5481e-02 -6.0000e+00 1.5406e-01 4.5683e-02 1.9207e-03 2.6925e-02 -6.0000e+00 1.6776e-01 -2.0844e-02 1.5736e-03 1.3392e-02 -6.0000e+00 1.0015e-01 -3.8375e-04 8.2540e-04 3.9896e-03 -6.0000e+00 4.2205e-02 1.3738e-03 -1.5282e-03 3.3194e-05 4.9048e-05 -6.0000e+00 3.2159e-03 -7.3424e-04 -3.1012e-05 11 8 0 10 0 0 98.76 22.70 0.20 -0.00073 -0.01222 136 26 1 5 0 362.750 25.58 19.99 22.70 13.13 30.0 982.72 -14651 -25827 53603 -65644 -13241 -39461 -34629 -2314 -13323 -23799 -41706 -5566 -30968 -20167 2375 -4144 -18961 10743 5154 4471 -661 -2792 546 -9369 13 -6593 8062 -6075 -3071 -8308 1992 1443 948 -5667 -1456 6250 -2507 273 1787 335 -3178 3 -2629 -1952 -1069 330 -1394 795 707 1757 1642 329 872 2033 2492 533 1436 550 886 418 1242 2156 1376 297 339 -38 1351 784 1342 977 -284 -264 -131 -926 -94 -594 802 1164 1187 131 -177 -360 -1418 -1149 -1645 -1144 -1378 -566 -713 -426 22 544 786 1664 1511 1244 715 536 -198 -766 -400 -658 217 982 -178 -947 -565 -780 -217 197 -121 -600 -260 130 -38 943 851 1064 422 -401 -716 -497 -124 -195 135 8 422 1339 886 79 404 78 305 258 218 -367 -148 115 -509 -502 -296 -144 102 251 -196 -447 475 -1759 -208 -762 -671 -37 -268 -572 -1255 -130 -1066 -766 88 -192 -1124 528 285 263 -42 -185 36 -722 1 -568 624 -527 -255 -733 175 145 109 -743 -186 735 -332 40 306 68 -752 1 -703 -535 -295 91 -395 224 204 518 516 113 322 795 1025 231 637 249 396 185 550 989 687 162 195 -22 763 440 774 615 -196 -192 -97 -681 -66 -392 489 678 706 85 -128 -288 -1235 -1053 -1578 -1141 -1435 -603 -771 -458 23 540 741 1525 1415 1249 785 640 -254 -1023 -530 -835 259 1129 -209 -1161 -717 -1024 -295 281 -183 -955 -422 210 -60 1415 1249 1562 638 -629 -1153 -801 -196 -303 204 12 609 1887 1277 121 654 133 533 463 404 -706 -293 231 -1031 -1019 -589 -279 191 465 SS 20211201T135522.7Z 8005.580124 200 1 48.42 2 73.92 139.49 51.08 174.42 0.00 1 0.00 1 0 33 6.026e-02 6.586e-03 1.142e-02 8.097e-04 5.011942e-01 4.164281e-04 5.960335e-03 -6.000000e+00 3.501954e-02 223.03 -2.00 3.51 -2.00 319.24 0.00e+00 9.706361e-04 1.090588e-04 4.513397e-04 -6.000000e+00 1.555458e-03 278.79 -2.00 20.00 -2.00 318.62 0.00e+00 3.550 0.001 302.00 328.00 3 1.1721e+00 1.1518e-03 4.3562e-02 -6.0000e+00 8.6101e-02 4.3789e-02 1.3466e-03 2.5790e-02 -6.0000e+00 9.3754e-02 -1.8566e-02 1.0604e-03 1.2826e-02 -6.0000e+00 5.5969e-02 -1.5251e-03 5.5917e-04 3.7674e-03 -6.0000e+00 2.3589e-02 2.6239e-03 -1.4413e-03 2.4044e-05 4.7475e-05 -6.0000e+00 1.7972e-03 -9.0126e-04 -2.2860e-05 11 8 0 10 0 0 98.68 22.70 0.19 -0.00090 -0.01173 238 45 1 5 0 203.410 25.58 19.99 22.70 13.39 29.9 983.62 -23448 -7358 3112 -37412 -17817 -24108 -18426 -1515 -12090 -17284 -22909 -11551 -9741 -13809 3242 -5345 -10775 579 3053 358 -109 -1038 -179 -2252 -2568 -4451 1145 -3362 -2054 -4030 -5 326 992 -3983 -577 2244 -805 -1154 1468 -252 -1657 -837 -2524 -937 -849 703 -1154 -326 241 1651 895 640 1137 1632 1559 463 1038 225 744 188 1495 1707 1597 524 -140 17 912 736 1447 1238 -4 -214 -619 -864 -529 -223 529 1409 1510 80 34 -466 -1469 -1235 -1451 -1252 -906 -577 -591 -542 2 506 712 1698 1674 1231 825 642 -387 -646 -476 -537 222 782 -236 -1070 -649 -829 -83 -31 -98 -419 -177 133 149 819 970 927 293 -301 -719 -453 -327 -390 45 44 659 1477 923 127 470 -29 414 172 155 -420 -196 87 -484 -460 -194 -57 -32 256 -453 -141 58 -962 -382 -530 -401 -31 -293 -482 -715 -349 -339 -613 148 -313 -698 37 202 26 -8 -80 -14 -192 -238 -448 112 -337 -198 -402 -1 39 134 -576 -87 322 -117 -193 288 -60 -433 -237 -768 -290 -266 219 -371 -105 79 551 303 239 462 713 686 216 496 110 357 89 704 846 873 304 -87 10 549 436 885 803 -3 -162 -483 -661 -380 -153 344 858 938 53 26 -393 -1330 -1152 -1442 -1270 -973 -621 -649 -587 2 504 686 1622 1576 1280 901 766 -499 -854 -643 -677 263 907 -282 -1323 -846 -1099 -112 -43 -147 -654 -284 211 231 1227 1391 1332 442 -466 -1163 -733 -516 -595 67 66 941 2103 1313 193 756 -48 707 308 283 -793 -377 171 -973 -922 -377 -109 -59 463 SS 20211201T140049.1Z 8005.583902 203 1 49.23 2 73.26 140.61 51.02 176.10 0.00 1 0.00 1 0 25 7.978e-02 7.219e-03 1.989e-02 1.338e-03 4.830026e-01 6.877188e-04 5.727509e-03 -6.000000e+00 4.637088e-02 223.03 -2.00 3.51 -2.00 319.33 0.00e+00 7.568006e-04 1.851315e-04 5.354101e-04 -6.000000e+00 2.059523e-03 278.78 -2.00 20.00 -2.00 318.71 0.00e+00 3.418 0.001 302.00 328.00 3 2.2413e+00 1.9114e-03 4.1970e-02 -6.0000e+00 1.1401e-01 3.4883e-02 2.2441e-03 2.4917e-02 -6.0000e+00 1.2414e-01 -7.9842e-03 1.7779e-03 1.2385e-02 -6.0000e+00 7.4108e-02 -5.3470e-03 9.3431e-04 3.6445e-03 -6.0000e+00 3.1238e-02 1.0452e-03 -1.1527e-03 4.0226e-05 4.4956e-05 -6.0000e+00 2.3794e-03 -1.3199e-03 4.7447e-06 11 8 0 10 0 0 99.87 22.69 0.27 -0.00132 -0.00998 130 25 1 5 0 378.590 25.58 20.00 22.69 13.57 30.0 984.61 -18642 -11835 21842 -47366 -20602 -5907 -19635 21655 -11716 -16601 -36866 -9599 -26577 -18893 9482 -8753 -15297 11951 15925 3287 2698 -2705 470 -7611 -956 -4950 8114 -3013 -4617 -6767 -949 4887 607 -5689 -2452 6717 -3060 -806 2305 -124 -2709 -958 -2591 -2534 -562 930 -1344 750 1198 2001 841 64 248 2414 1766 979 1301 404 727 712 1959 2385 1304 -175 -128 -767 1500 290 1870 875 -288 -480 -105 -855 142 -120 1225 1725 699 379 -155 -374 -1587 -992 -1489 -1039 -1005 -745 -754 -315 -99 162 646 1537 1537 1443 635 643 -387 -727 -565 -469 322 1322 -224 -859 -553 -882 -67 92 -93 -726 -191 -30 -1 679 1039 887 277 -158 -769 -549 -303 -75 65 99 483 1486 810 172 429 80 353 394 382 -342 -56 -83 -472 -655 -263 -83 84 157 -340 -233 336 -1369 -443 -107 -423 355 -296 -473 -1332 -291 -1086 -864 400 -504 -1039 685 941 229 196 -210 36 -671 -86 -487 726 -293 -447 -672 -97 533 78 -826 -348 865 -449 -131 430 -28 -698 -263 -756 -758 -167 277 -410 227 366 628 281 23 97 990 765 443 606 191 341 330 901 1144 680 -100 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