File name: Pandora55s1_QueensNY_20240526_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240527T045934.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 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_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240526_L1_smca1c17d20220526p1-8.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: 20240526 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240526T124246.0Z 8912.529698 272 1 38.50 2 55.69 90.47 100.63 241.21 0.00 1 0.00 1 0 17 4.517e-02 9.635e-03 8.034e-03 2.589e-03 2.859731e-01 1.370308e-03 3.386029e-03 -6.000000e+00 2.722912e-02 231.81 -2.00 3.51 -2.00 317.14 0.00e+00 -1.009383e-03 1.901579e-04 6.646350e-05 -6.000000e+00 1.199974e-03 284.84 -2.00 20.00 -2.00 316.37 0.00e+00 1.769 0.000 302.00 328.00 3 5.1101e+00 3.6314e-03 2.3303e-02 -6.0000e+00 6.8206e-02 8.7633e-03 4.0636e-03 1.4914e-02 -6.0000e+00 7.3670e-02 8.9628e-03 2.4153e-03 7.2361e-03 -6.0000e+00 4.3800e-02 -5.1466e-03 1.1652e-03 2.0886e-03 -6.0000e+00 1.8406e-02 3.7733e-04 2.6559e-04 8.0247e-05 2.5385e-05 -6.0000e+00 1.3584e-03 1.4128e-02 0.0000e+00 12 9 9 12 45 5 99.96 15.68 0.18 0.01413 0.01612 11 3 1 5 0 3205.680 26.00 20.00 15.68 26.93 37.2 1100.00 -10659 39298 -16249 1090 17172 -1052 -555 2261 209 -4581 10 -2777 2469 11397 -1422 -5937 -890 7970 4777 -4217 444 2520 -5587 167 -554 -3445 426 868 -257 1350 1840 -611 -3158 -2443 7163 -2472 -2297 481 1794 -2521 489 -2553 -1592 -1398 1741 -1806 1753 166 665 -1057 -937 -1409 3422 2316 1018 2978 1354 -3 1045 1078 186 1358 -12 -510 -1232 356 -841 1678 1097 -158 364 770 -1245 746 -473 324 1853 163 -446 -1212 602 -1412 -742 -1526 -764 -1410 -499 -562 -328 -112 130 634 1191 895 307 -34 715 -153 -365 -160 -1091 -404 1113 201 -308 -339 -1021 -207 1042 448 -698 163 -240 -461 68 530 1101 331 -130 -954 -633 465 667 43 405 -113 961 360 48 420 693 270 -650 786 -80 340 375 -109 -551 -534 -388 -234 -213 -1339 3263 -2193 117 1500 -111 -64 284 29 -674 1 -440 419 2014 -310 -1431 -214 1843 1176 -1150 118 665 -1637 49 -173 -1115 130 252 -73 381 551 -201 -1105 -849 2238 -854 -873 205 868 -1386 279 -1539 -969 -850 1036 -1094 1020 96 385 -631 -584 -929 2272 1608 729 2149 997 -2 761 788 141 1071 -10 -442 -1065 291 -666 1308 911 -142 344 741 -1210 695 -423 270 1438 126 -360 -1062 563 -1421 -777 -1666 -864 -1671 -608 -697 -404 -135 149 684 1224 912 326 -38 861 -196 -485 -211 -1390 -489 1303 241 -386 -440 -1373 -285 1471 658 -1066 250 -361 -669 93 705 1457 449 -184 -1407 -946 687 969 61 560 -152 1252 470 65 593 1007 401 -987 1210 -127 558 627 -184 -941 -903 -643 -377 -341 SS 20240526T130245.4Z 8912.543581 283 1 50.52 2 51.91 93.84 103.84 244.03 0.00 1 0.00 1 0 25 1.130e-02 6.334e-03 2.125e-03 9.309e-04 2.619966e-01 4.943411e-04 3.132702e-03 -6.000000e+00 6.815017e-03 231.81 -2.00 3.51 -2.00 316.53 0.00e+00 -1.994155e-04 5.889330e-05 6.473993e-05 -6.000000e+00 3.003022e-04 284.84 -2.00 20.00 -2.00 315.78 0.00e+00 1.617 0.000 302.00 328.00 3 3.7255e+00 1.2983e-03 2.1327e-02 -6.0000e+00 1.7071e-02 4.8365e-03 1.4466e-03 1.3630e-02 -6.0000e+00 1.8438e-02 1.0157e-03 8.3839e-04 6.6240e-03 -6.0000e+00 1.0962e-02 -3.3175e-03 3.8990e-04 1.8110e-03 -6.0000e+00 4.6075e-03 1.8243e-03 4.0914e-04 2.8752e-05 2.3772e-05 -6.0000e+00 3.3996e-04 1.3097e-02 0.0000e+00 12 1 1 12 4 4 99.99 15.52 0.16 0.01310 0.01617 80 15 1 5 0 631.440 26.11 20.01 15.52 27.95 37.5 1100.00 -4235 1452 -6225 -793 -4 191 3221 1284 -1497 -1704 -1192 187 -3350 2464 -824 -1590 1207 1380 1133 -1720 1026 1114 94 -328 8 1279 -600 355 580 1780 1726 1445 -1235 -205 1691 -345 -103 936 -7 -1514 -685 -1576 -1182 -936 -185 -1409 -320 -744 457 364 218 218 1056 824 475 1017 385 969 754 1497 1355 1182 46 -440 -476 175 358 1158 960 133 -190 -470 -549 -546 -133 359 587 1078 -78 -55 -446 -1485 -1058 -987 -1172 -755 -494 -458 -438 -96 198 413 1258 1197 1349 539 815 -428 -479 -463 -566 -149 890 146 -755 -327 -690 34 153 -41 -435 -177 -180 -106 318 662 874 598 -52 -767 -336 -106 -148 8 148 374 1286 952 165 715 84 289 221 312 -202 -26 122 -403 -467 -244 -321 -240 -48 -720 244 -1093 -124 -1 28 505 226 -286 -333 -235 39 -794 622 -233 -478 366 432 366 -580 343 375 33 -120 3 486 -226 127 200 614 628 561 -508 -83 660 -139 -45 462 -4 -930 -440 -1046 -795 -631 -124 -945 -210 -483 294 237 148 155 772 622 366 796 304 761 586 1164 1083 990 41 -400 -429 150 295 949 831 123 -185 -469 -545 -529 -123 310 480 865 -65 -49 -429 -1520 -1124 -1084 -1337 -894 -602 -568 -541 -116 229 451 1306 1230 1432 607 976 -543 -627 -601 -711 -179 1037 175 -940 -421 -915 47 213 -60 -646 -265 -264 -149 430 863 1134 795 -71 -1100 -489 -153 -211 11 201 493 1645 1219 219 984 120 418 322 466 -311 -42 196 -659 -767 -398 -514 -376 -75 SS 20240526T130812.9Z 8912.547372 286 1 50.70 2 50.88 94.79 104.73 244.78 0.00 1 0.00 1 0 25 1.289e-02 6.311e-03 2.444e-03 1.036e-03 2.570465e-01 5.494844e-04 3.071103e-03 -6.000000e+00 7.771945e-03 231.81 -2.00 3.51 -2.00 316.62 0.00e+00 -8.144560e-05 6.689721e-05 6.376971e-05 -6.000000e+00 3.424586e-04 284.84 -2.00 20.00 -2.00 315.86 0.00e+00 1.581 0.000 302.00 328.00 3 3.9222e+00 1.4450e-03 2.0888e-02 -6.0000e+00 1.9468e-02 8.8924e-03 1.6109e-03 1.3379e-02 -6.0000e+00 2.1026e-02 2.6308e-04 9.3556e-04 6.5011e-03 -6.0000e+00 1.2501e-02 -2.9165e-03 4.3710e-04 1.7788e-03 -6.0000e+00 5.2547e-03 1.5614e-03 3.9551e-04 3.2078e-05 2.3192e-05 -6.0000e+00 3.8768e-04 1.2827e-02 0.0000e+00 12 1 1 12 4 4 99.97 15.19 0.20 0.01283 0.01580 98 19 1 5 0 517.330 26.00 19.98 15.19 27.91 37.4 1100.00 -4631 3852 -7244 -440 1282 -25 5408 1090 164 -2242 1222 -1915 -2663 1857 147 -1665 -1901 2097 1744 -606 706 1615 -215 729 -347 1848 -899 87 -57 1033 1766 906 -991 -1393 1538 -349 276 436 40 -1730 -716 -1656 -1448 -1027 -283 -1504 -734 -721 613 745 532 415 1006 1099 582 1115 582 661 794 1496 1578 841 270 -361 -331 153 173 1034 936 298 -145 -251 -599 -180 -310 255 782 1121 -34 -391 -418 -1662 -1185 -1112 -885 -797 -222 -513 -382 -37 229 204 1113 1330 1117 718 656 -316 -477 -377 -612 -134 667 173 -696 -396 -728 -245 283 130 -415 -105 -111 -204 447 600 815 449 -125 -647 -416 -104 -175 130 229 405 1169 868 274 577 62 221 264 300 -248 -34 241 -349 -383 -268 -417 -261 12 -767 615 -1245 -66 179 -4 798 185 30 -425 228 -390 -606 455 40 -485 -574 632 544 -197 229 525 -73 257 -128 680 -330 30 -19 346 620 342 -395 -554 580 -136 117 210 22 -1047 -455 -1086 -964 -683 -188 -997 -477 -461 387 476 354 290 728 819 443 863 455 514 611 1152 1247 702 237 -327 -297 131 141 839 802 275 -141 -249 -594 -173 -286 219 632 887 -28 -348 -399 -1697 -1257 -1218 -1009 -947 -271 -638 -474 -45 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