File name: Pandora55s1_QueensNY_20240809_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240810T051745.9Z 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_20240809_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: 20240809 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 20240809T120223.0Z 8987.501656 102 1 5.69 2 68.32 87.72 121.59 68.64 0.00 1 0.00 1 0 25 1.780e-02 6.503e-03 9.345e-03 2.227e-03 3.531675e-01 1.178193e-03 4.187994e-03 -6.000000e+00 1.073804e-02 231.98 -2.00 3.51 -2.00 317.75 0.00e+00 1.807075e-04 1.970739e-04 1.595231e-04 -6.000000e+00 4.836774e-04 290.18 -2.00 20.00 -2.00 316.88 0.00e+00 2.682 0.000 302.00 328.00 3 2.0699e+00 3.1647e-03 3.2680e-02 -6.0000e+00 2.6859e-02 3.4272e-02 3.5668e-03 1.8614e-02 -6.0000e+00 2.8980e-02 -9.3403e-03 2.1928e-03 8.9636e-03 -6.0000e+00 1.7285e-02 -7.9635e-04 1.0968e-03 2.4692e-03 -6.0000e+00 7.2988e-03 2.9554e-03 1.1033e-04 6.8487e-05 3.0196e-05 -6.0000e+00 5.3554e-04 1.5405e-02 0.0000e+00 12 9 1 12 5 5 99.96 13.47 0.16 0.01541 0.01623 16 29 1 5 0 333.850 26.21 20.01 13.47 31.73 38.1 1092.35 -11255 1985 -7328 -4059 -2487 -5023 -139 849 -752 -6635 1291 -5600 -72 421 -62 -2966 4100 1899 2146 95 1347 2274 -957 946 -1347 1912 -563 1210 163 525 1420 1664 -499 -2143 1226 -1690 -1031 82 -551 -1797 -405 -1736 -874 -498 -364 -1328 -269 26 228 25 201 642 693 862 841 735 706 631 1194 461 1810 1674 552 -746 -34 514 847 1275 856 -27 -544 -419 -815 -435 -162 -16 537 1133 374 48 -613 -1302 -1178 -1106 -890 -1078 -554 -447 -359 -146 463 321 1308 1544 1127 1220 905 -203 -628 -534 -524 188 593 -80 -765 -318 -701 -190 -60 23 -518 -403 -58 -161 553 959 919 419 -38 -885 -557 -83 -375 208 182 377 1310 1031 238 481 -106 400 100 488 -98 -288 247 -549 -454 -366 -204 -231 281 -908 150 -596 -301 -172 -365 -11 72 -69 -664 124 -631 -9 59 -10 -517 710 351 412 19 273 463 -208 214 -326 458 -135 276 37 121 352 449 -144 -630 343 -496 -331 30 -231 -836 -198 -887 -454 -259 -190 -697 -140 13 118 13 112 377 426 550 549 491 476 425 792 308 1239 1208 425 -600 -27 394 628 951 678 -23 -490 -386 -749 -387 -138 -13 405 844 293 41 -564 -1279 -1205 -1173 -981 -1236 -653 -535 -429 -170 516 340 1328 1560 1191 1373 1091 -260 -834 -707 -669 229 700 -96 -959 -413 -936 -262 -85 34 -792 -624 -89 -237 782 1315 1255 587 -55 -1333 -847 -125 -559 302 258 520 1757 1394 335 707 -161 622 158 790 -164 -498 432 -975 -809 -644 -352 -389 468 SS 20240809T121627.7Z 8987.511432 109 1 50.42 2 65.65 89.99 119.21 71.42 0.00 1 0.00 1 0 25 1.023e-02 6.078e-03 1.158e-03 3.633e-04 3.179206e-01 1.924931e-04 3.782550e-03 -6.000000e+00 6.169721e-03 231.98 -2.00 3.51 -2.00 317.31 0.00e+00 1.151705e-04 2.825874e-05 1.020174e-04 -6.000000e+00 2.778821e-04 290.18 -2.00 20.00 -2.00 316.43 0.00e+00 2.408 0.000 302.00 328.00 3 1.0285e+00 5.1210e-04 2.9355e-02 -6.0000e+00 1.5432e-02 2.0671e-02 5.7443e-04 1.6701e-02 -6.0000e+00 1.6650e-02 -6.5129e-03 3.4192e-04 8.0594e-03 -6.0000e+00 9.9309e-03 -1.5980e-03 1.6628e-04 2.2101e-03 -6.0000e+00 4.1941e-03 1.1558e-02 2.6725e-04 1.1218e-05 2.7847e-05 -6.0000e+00 3.0767e-04 1.4608e-02 0.0000e+00 12 1 1 12 4 4 99.99 13.30 0.21 0.01461 0.01662 601 114 1 5 0 83.880 26.21 19.98 13.30 31.75 38.5 1093.41 -3732 -3066 -5195 -3271 -2446 -1519 -177 -1038 -2390 -1559 -650 -234 326 909 -418 -444 -209 600 444 -434 1127 1097 531 143 -42 -481 -816 -74 1117 908 1352 1174 -1256 -994 48 -227 38 446 -726 -1276 -784 -980 -856 -701 -307 -807 -413 -407 651 765 714 912 829 705 560 906 264 674 863 1569 1464 1337 604 -523 -60 96 363 1167 827 57 -263 -704 -544 -759 -208 203 425 1076 63 -123 -761 -1455 -1256 -1078 -1088 -785 -510 -409 -553 -111 263 418 1311 1408 1195 804 788 -294 -489 -453 -548 -54 773 -16 -811 -308 -737 -126 -20 -99 -355 -290 -102 -6 566 898 934 641 -56 -567 -446 -248 -337 100 100 414 1390 1064 447 575 5 237 109 237 -293 -160 105 -415 -447 -282 -246 -180 87 -404 -347 -589 -337 -235 -147 -19 -124 -313 -208 -89 -32 51 164 -86 -99 -46 136 105 -107 278 274 139 40 -12 -145 -241 -21 298 248 400 382 -414 -326 16 -74 14 180 -352 -664 -439 -543 -485 -400 -175 -460 -231 -225 377 431 430 589 539 482 397 655 195 491 619 1124 1096 1029 483 -443 -50 78 282 905 667 49 -247 -655 -524 -700 -185 170 328 810 51 -107 -716 -1450 -1281 -1162 -1202 -923 -605 -497 -669 -129 294 445 1346 1430 1294 890 935 -373 -654 -600 -683 -65 910 -20 -1022 -395 -995 -171 -27 -146 -537 -447 -153 -9 785 1221 1262 871 -82 -845 -657 -373 -493 145 139 567 1806 1391 624 834 7 364 167 378 -479 -267 180 -707 -766 -488 -411 -298 141 SS 20240809T125008.3Z 8987.534818 135 1 50.18 2 59.29 95.66 113.35 77.67 0.00 1 0.00 1 0 17 5.968e-02 1.338e-02 8.184e-03 2.660e-03 2.502110e-01 1.405981e-03 2.970697e-03 -6.000000e+00 3.600404e-02 231.98 -2.00 3.51 -2.00 317.21 0.00e+00 7.708007e-04 2.021427e-04 1.477338e-04 -6.000000e+00 1.621502e-03 290.18 -2.00 20.00 -2.00 316.35 0.00e+00 1.950 0.000 302.00 328.00 3 5.1748e+00 3.7352e-03 2.3541e-02 -6.0000e+00 9.0056e-02 2.0793e-02 4.1882e-03 1.3216e-02 -6.0000e+00 9.7161e-02 1.7309e-02 2.4707e-03 6.3344e-03 -6.0000e+00 5.7951e-02 -8.5083e-03 1.1912e-03 1.9076e-03 -6.0000e+00 2.4478e-02 3.1411e-04 4.8006e-04 8.3320e-05 2.3003e-05 -6.0000e+00 1.7953e-03 1.3903e-02 0.0000e+00 12 9 9 12 4 4 100.00 13.35 0.34 0.01390 0.01751 36 7 1 5 0 1393.710 26.21 20.00 13.35 32.66 38.4 1098.45 -13895 42555 -18109 11937 4498 422 27646 3737 3276 -8373 1225 -7662 2400 10687 3860 -5084 -22989 9821 7394 -1581 2223 3858 -6381 1683 -2751 13506 -1934 783 -3609 1064 4748 1583 -2040 -648 10772 -2422 -893 929 1321 -3784 36 -4341 -2777 -1197 2188 -2036 1008 1091 2266 837 221 -829 2973 3012 556 2273 1359 1382 1134 818 2999 273 -1105 392 -2109 1674 -820 454 1139 -277 629 524 -1658 1071 -1048 1220 2022 296 -916 -1502 829 -2316 -1293 -2067 -880 -1779 -592 -1183 28 -206 -319 280 1237 757 810 122 170 273 -481 123 -817 355 1236 515 -471 -251 -854 270 1361 315 -139 -120 -340 -758 1 449 1335 380 83 -942 -424 869 -750 245 365 -226 562 864 -531 943 551 376 702 367 -225 96 391 -264 -701 -578 -407 -98 -202 -1925 3665 -2654 1235 467 46 2555 478 446 -1294 176 -1279 411 1916 812 -1232 -6769 2239 1783 -424 584 1003 -1877 484 -855 3677 -589 222 -1027 294 1347 495 -688 -215 3129 -806 -324 384 626 -2063 20 -2612 -1685 -720 1284 -1224 584 619 1266 483 133 -533 1937 2036 392 1614 976 991 806 588 2193 215 -933 337 -1826 1332 -635 347 921 -245 587 501 -1602 986 -928 986 1518 221 -718 -1288 758 -2316 -1344 -2252 -996 -2120 -728 -1489 35 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