File name: Pandora55s1_QueensNY_20240118_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240119T051022.3Z 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_20240118_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: 20240118 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 20240118T190800.2Z 8783.797225 277 1 51.26 2 67.54 211.04 60.46 96.35 0.00 1 0.00 1 0 17 8.571e-02 1.334e-02 1.276e-02 2.170e-03 3.684916e-01 1.111531e-03 4.354022e-03 -6.000000e+00 5.012002e-02 223.88 -2.00 3.51 -2.00 318.22 0.00e+00 1.672112e-03 2.083253e-04 2.282445e-04 -6.000000e+00 2.188604e-03 275.32 -2.00 20.00 -2.00 317.64 0.00e+00 2.596 0.000 302.00 328.00 3 4.2640e+00 2.9636e-03 3.1789e-02 -6.0000e+00 1.2362e-01 3.7485e-02 3.3608e-03 1.8807e-02 -6.0000e+00 1.3454e-01 -2.6124e-02 2.2208e-03 9.3072e-03 -6.0000e+00 8.0046e-02 9.7143e-03 1.1497e-03 3.1882e-03 -6.0000e+00 3.3873e-02 3.5430e-04 5.8260e-04 6.6529e-05 3.5676e-05 -6.0000e+00 2.5711e-03 1.8751e-02 0.0000e+00 12 9 8 11 36 0 97.67 21.47 0.33 0.01875 0.02313 22 4 1 5 0 2329.650 25.90 19.92 21.47 6.38 34.3 1017.58 -22850 4830 -28158 10437 19530 -918 53644 771 -4860 -17904 -10574 -14096 -12620 26478 3276 -7926 -42162 23423 14688 13415 2426 6331 -7774 807 -3891 18659 -961 -2225 -4279 1231 8359 -2011 620 18 14235 -2073 -2086 2062 3351 -2946 717 -3218 -2470 -1192 3255 -2043 3524 1378 3089 471 157 -1086 4217 3735 989 2939 253 1771 342 723 2621 1455 -450 443 -1793 900 -584 835 1177 -171 -513 583 -1409 1335 -670 -110 2147 532 -534 -1607 438 -1745 -1053 -2113 -1269 -1991 -1097 -1290 -130 -295 -316 700 1027 951 201 120 490 -484 -345 72 -898 224 1539 211 -304 -507 -404 206 -356 421 -622 199 -491 -174 -62 743 1243 616 31 -877 -30 531 676 112 -94 256 1024 713 128 942 397 604 347 416 -207 216 102 -420 -875 -613 -505 -250 -117 -1559 270 -2098 510 828 -48 1848 48 -343 -1467 -844 -1294 -1331 2281 395 -1151 -8806 2856 2019 1918 388 987 -1428 145 -764 3043 -183 -415 -801 229 1597 -463 147 4 2942 -507 -567 628 1164 -1196 302 -1454 -1134 -546 1452 -947 1560 620 1388 223 79 -585 2297 2127 590 1768 157 1077 208 441 1629 973 -326 332 -1360 643 -410 586 883 -140 -444 511 -1239 1113 -536 -82 1486 372 -398 -1325 387 -1674 -1054 -2218 -1382 -2270 -1287 -1535 -153 -338 -347 721 1016 941 210 136 593 -628 -462 96 -1152 271 1793 253 -381 -660 -542 285 -513 633 -974 314 -768 -262 -89 1033 1725 878 46 -1351 -47 810 1015 165 -136 356 1386 974 183 1411 619 964 564 696 -358 384 185 -771 -1616 -1115 -899 -432 -199 SS 20240118T191933.3Z 8783.805247 280 1 50.48 2 68.71 213.67 58.31 98.29 0.00 1 0.00 1 0 25 3.097e-02 6.458e-03 6.405e-03 1.049e-03 3.947723e-01 5.379841e-04 4.687226e-03 -6.000000e+00 1.811207e-02 223.88 -2.00 3.51 -2.00 318.28 0.00e+00 3.697063e-04 1.028138e-04 2.280791e-04 -6.000000e+00 7.909528e-04 275.32 -2.00 20.00 -2.00 317.69 0.00e+00 2.728 0.000 302.00 328.00 3 2.7204e+00 1.4370e-03 3.3649e-02 -6.0000e+00 4.4672e-02 3.1433e-02 1.6321e-03 2.0001e-02 -6.0000e+00 4.8621e-02 -1.0207e-02 1.1003e-03 9.9662e-03 -6.0000e+00 2.8927e-02 -2.4675e-03 5.7353e-04 2.9405e-03 -6.0000e+00 1.2240e-02 1.4145e-03 3.7517e-04 3.1944e-05 3.5322e-05 -6.0000e+00 9.2920e-04 1.9192e-02 0.0000e+00 11 9 0 11 4 0 99.91 21.43 0.15 0.01919 0.02201 105 20 1 5 0 480.650 25.90 20.02 21.43 6.52 34.5 1017.59 -15972 14869 -16304 -1431 -436 -7789 6388 -4881 -1523 -10644 -4957 -7121 -4966 4679 -502 -4801 -731 5050 3096 2649 39 863 -3445 55 -1817 3298 -2184 -655 -1758 1087 2757 292 -2011 -1010 3685 -1645 -1091 383 -136 -2079 -952 -2063 -1674 -697 419 -1270 -226 173 644 886 284 282 1841 1467 915 1302 808 611 1304 1433 1690 1117 -496 -414 -506 269 192 1519 777 239 -302 -154 -548 -20 -179 645 1144 1157 100 -419 -439 -1469 -1256 -1269 -1034 -1026 -650 -530 -444 104 246 639 1246 1478 1026 652 791 -358 -385 -621 -626 34 859 36 -801 -457 -650 -108 123 -49 -529 -174 -187 -244 569 847 774 564 -151 -775 -308 -11 -129 155 50 317 1270 767 168 610 39 347 295 308 -319 -48 182 -452 -498 -231 -271 -100 33 -870 650 -935 -68 -19 -382 304 -289 -94 -739 -343 -561 -447 449 -57 -623 -97 670 437 387 6 132 -575 9 -334 593 -404 -115 -310 195 535 64 -475 -238 814 -391 -288 116 -48 -822 -399 -903 -749 -311 187 -573 -101 77 290 413 141 149 1010 844 543 789 495 374 784 864 1051 742 -354 -309 -377 192 134 1065 585 195 -260 -135 -478 -17 -143 478 804 814 75 -344 -392 -1410 -1259 -1321 -1121 -1157 -755 -624 -520 118 268 658 1234 1469 1075 734 958 -463 -515 -828 -802 42 1009 44 -1004 -592 -867 -149 175 -74 -823 -275 -292 -368 819 1186 1082 807 -225 -1190 -477 -17 -194 228 72 443 1723 1054 241 919 62 559 483 519 -556 -85 331 -832 -921 -421 -484 -173 56 SS 20240118T193042.2Z 8783.812989 287 1 51.22 2 69.91 216.15 56.25 100.23 0.00 1 0.00 1 0 17 3.279e-01 1.112e-02 8.770e-02 2.147e-03 4.140931e-01 1.102485e-03 4.897497e-03 -6.000000e+00 1.917362e-01 223.88 -2.00 3.51 -2.00 318.64 0.00e+00 1.180251e-03 2.363965e-04 4.190080e-04 -6.000000e+00 8.371997e-03 275.32 -2.00 20.00 -2.00 318.07 0.00e+00 2.881 0.000 302.00 328.00 3 3.9150e+00 2.9753e-03 3.5519e-02 -6.0000e+00 4.7290e-01 3.9406e-02 3.4050e-03 2.1290e-02 -6.0000e+00 5.1469e-01 -1.4491e-02 2.4217e-03 1.0512e-02 -6.0000e+00 3.0621e-01 6.2247e-04 1.2734e-03 3.3692e-03 -6.0000e+00 1.2959e-01 3.5819e-04 3.9667e-04 6.5484e-05 3.8436e-05 -6.0000e+00 9.8351e-03 1.8270e-02 0.0000e+00 12 9 8 11 36 0 91.48 21.46 0.27 0.01827 0.02125 23 4 1 5 0 2226.500 25.90 20.00 21.46 6.82 34.5 1016.74 -37756 361432 -46911 1041 38282 -7108 71689 8721 -7804 -21557 -22542 -26390 -17938 24784 -4194 -16879 2235 21675 10328 16132 -949 3326 -12042 -2467 -5769 23794 -3470 -4470 -10265 401 3238 -1586 -2830 -1429 13010 -4127 -4446 3631 3180 -3719 2211 -4167 -1246 -2729 4531 -2973 3553 1528 2901 183 -28 -1015 4836 3233 938 3313 857 2437 12 1194 3182 815 -4375 1144 -1899 1154 -77 772 653 -113 -403 811 -1607 1478 -602 885 2569 390 -221 -1605 360 -1156 -1578 -1793 -521 -1943 -1126 -1096 151 -270 183 643 1169 1077 775 185 255 -42 -600 -487 -457 405 946 489 -311 -696 -690 171 997 263 -580 159 -284 -621 376 653 1162 334 -197 -1080 -864 521 409 -27 -378 114 1341 564 94 836 211 470 469 442 -262 -45 406 -411 -809 -428 -284 -155 27 -1890 757 -2700 36 893 -260 1391 341 -382 -1252 -1391 -1895 -1407 1544 -392 -1946 231 1986 1104 1684 -118 403 -1755 -352 -894 2884 -530 -667 -1602 60 523 -297 -571 -287 2249 -852 -1028 917 937 -1299 790 -1637 -491 -1097 1729 -1208 1374 603 1151 77 -13 -493 2370 1679 512 1821 484 1354 7 664 1807 503 -3014 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