File name: Pandora75s1_EssexMD_20241221_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T133435.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20241221_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20241221 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20241221T141447.0Z 9121.593599 332 1 52.77 2 74.19 140.01 63.79 255.99 0.00 1 0.00 1 0 25 3.199e-01 1.941e-02 1.529e-01 4.737e-03 5.101875e-01 2.540961e-03 6.502921e-03 -6.000000e+00 1.908537e-01 223.27 -2.00 3.48 -2.00 319.97 0.00e+00 4.807695e-03 8.125994e-04 2.789365e-03 -6.000000e+00 8.503630e-03 278.09 -2.00 20.00 -2.00 319.42 0.00e+00 3.607 0.001 302.00 328.00 3 4.8174e+00 7.2784e-03 4.5601e-02 -6.0000e+00 4.6959e-01 9.7493e-02 8.7127e-03 2.9410e-02 -6.0000e+00 5.0932e-01 -1.3022e-01 7.4102e-03 1.5099e-02 -6.0000e+00 3.0399e-01 5.7363e-02 3.8435e-03 4.5022e-03 -6.0000e+00 1.3055e-01 6.2462e-05 -4.8051e-03 1.4812e-04 7.8303e-05 -6.0000e+00 9.9786e-03 1.5772e-02 -8.9691e-04 12 9 8 11 40 0 99.99 22.93 0.35 0.01577 -0.02034 16 3 1 5 0 3297.920 25.79 20.00 22.93 10.24 5.6 894.09 -190517 31834 900000 224666 -55675 -93706 107884 -19142 -49788 37853 -24544 -26833 48336 900000 41297 -25421 -31783 408 -8851 -29492 9099 53438 -14825 -9770 -17830 -1114 -26167 -11130 -10013 71299 20615 -10589 3661 -6531 12024 8441 1711 6449 13273 16092 -3387 20021 12421 -753 -247 13157 10302 2098 2274 13119 2877 1956 7291 10759 970 10904 4787 -3287 -1768 -3818 847 9270 2918 1409 2331 -1606 1119 1511 3428 1032 -35 3747 -2334 -2959 -640 -3235 -3311 642 -2615 -2398 -1063 -3331 -1821 -1221 -2753 149 -277 981 -202 1789 -192 -1056 -916 -4064 -3584 1169 909 -548 1300 196 -1224 -2238 -1180 -2668 -2668 -1945 -1422 706 502 1694 2631 1090 321 45 -448 1647 230 7 286 59 1144 773 2269 888 156 -845 -362 934 453 467 -969 -231 -491 -227 -273 -665 -516 896 -640 654 -546 -326 900000 -12873 267 900000 1037 -1075 -2556 498 -309 -1195 402 -510 -632 647 900000 896 -1256 -1864 19 -478 -2042 437 1653 -931 -613 -1276 -70 -2126 -760 -670 2238 1218 -983 330 -684 1027 748 176 735 1685 2318 -660 3300 2311 -164 -54 2575 2102 473 526 2865 754 566 2164 3298 344 3599 1706 -1263 -657 -1446 318 3492 1301 695 1173 -820 544 745 1796 564 -21 2260 -1481 -1794 -349 -1807 -1732 324 -1489 -1426 -716 -2572 -1503 -1065 -2602 145 -285 1019 -212 1767 -181 -935 -775 -3612 -3464 1222 994 -681 1684 255 -1518 -2575 -1265 -2937 -3114 -2385 -1834 951 734 2468 4088 1778 520 69 -659 2470 352 11 443 95 1824 1207 3658 1395 235 -1242 -519 1372 731 763 -1728 -431 -958 -432 -550 -1402 -1115 1932 -1389 1351 -1086 -665 900000 SS 20241221T142002.3Z 9121.597249 335 1 50.76 2 73.55 141.07 64.77 256.90 0.00 1 0.00 1 0 25 3.297e-01 1.513e-02 1.526e-01 3.562e-03 4.911511e-01 1.849626e-03 5.924106e-03 -6.000000e+00 1.937993e-01 223.27 -2.00 3.48 -2.00 319.79 0.00e+00 2.211889e-03 5.694886e-04 2.228989e-03 -6.000000e+00 8.583654e-03 278.09 -2.00 20.00 -2.00 319.19 0.00e+00 3.474 0.001 302.00 328.00 3 4.5660e+00 5.2694e-03 4.3222e-02 -6.0000e+00 4.7666e-01 3.9474e-02 6.2751e-03 2.6852e-02 -6.0000e+00 5.1947e-01 -6.7852e-02 5.1392e-03 1.3716e-02 -6.0000e+00 3.0996e-01 2.7597e-02 2.6518e-03 4.0487e-03 -6.0000e+00 1.2937e-01 9.6920e-05 -5.9369e-04 1.1080e-04 6.6008e-05 -6.0000e+00 1.0191e-02 1.0157e-02 5.2795e-06 12 9 8 11 40 0 92.84 22.95 0.51 0.01016 0.00570 16 3 1 5 0 3172.200 25.79 20.00 22.95 9.94 5.7 892.28 -168502 -48198 131176 86035 -106561 -77513 185013 -20593 -47822 5684 -20973 4627 52760 167065 30281 -31866 -28739 -8633 17548 -10343 7275 16397 -6025 -2428 -18557 1043 -19064 -14142 -17007 34359 1405 -7033 14897 -7223 -634 2654 183 -1461 10215 8308 1198 -1388 6735 536 2629 7200 262 2773 3739 6240 1980 826 4942 7749 2314 7311 1416 -1692 -1952 -1137 2633 5503 2779 2044 1381 -929 300 -417 3444 2215 -553 2514 115 -1355 330 -1967 -2233 -1000 -1602 -3910 -1156 -3286 -1946 -1803 -2012 -356 287 1457 -238 2092 605 -1255 -799 -2357 -2298 19 630 -80 926 -68 -1255 -1734 -1201 -1694 -1969 -2183 -883 226 476 1894 2054 1099 114 -354 -605 910 185 -2 461 68 1024 766 1079 728 340 -720 284 496 453 -31 -405 -82 -307 39 -471 -345 -179 787 -534 647 -192 -383 -738 -9525 -944 456 462 -3668 -1934 643 -372 -1263 95 -481 90 751 929 799 -1826 -1777 -474 792 -647 392 815 -387 -160 -1534 74 -1682 -1159 -1406 1766 112 -699 1330 -851 -69 279 21 -202 1512 1475 256 -326 1528 133 645 1708 67 703 962 1643 589 272 1693 2516 835 2595 544 -670 -761 -438 1010 2226 1279 1032 723 -485 151 -215 1842 1346 -378 1738 81 -922 204 -1129 -1197 -527 -922 -2643 -871 -2600 -1651 -1625 -1941 -359 302 1555 -257 2129 584 -1150 -696 -2113 -2240 21 707 -101 1228 -90 -1592 -2032 -1320 -1895 -2346 -2759 -1164 314 662 2831 3293 1836 189 -564 -909 1294 266 -3 727 111 1671 1224 1666 1084 486 -1075 412 743 688 -52 -680 -144 -565 75 -908 -694 -368 1627 -1110 1282 -391 -747 -1423 SS 20241221T144341.2Z 9121.613672 344 1 51.29 2 70.83 146.00 69.22 260.84 0.00 1 0.00 1 0 17 1.173e-01 1.246e-02 2.015e-02 2.457e-03 4.244828e-01 1.262663e-03 5.088209e-03 -6.000000e+00 6.896211e-02 223.27 -2.00 3.48 -2.00 319.01 0.00e+00 2.764931e-03 3.016539e-04 1.447377e-03 -6.000000e+00 3.053669e-03 278.09 -2.00 20.00 -2.00 318.38 0.00e+00 3.009 0.000 302.00 328.00 3 4.5107e+00 3.4587e-03 3.6867e-02 -6.0000e+00 1.6962e-01 4.3977e-02 3.9881e-03 2.1607e-02 -6.0000e+00 1.8483e-01 -7.5649e-02 2.8288e-03 1.1325e-02 -6.0000e+00 1.1029e-01 3.2092e-02 1.4701e-03 3.8197e-03 -6.0000e+00 4.6045e-02 1.7309e-04 9.1766e-05 7.6882e-05 5.3876e-05 -6.0000e+00 3.6254e-03 8.2717e-03 5.2189e-06 12 9 9 12 40 32 64.55 22.97 -0.74 0.00827 0.00896 20 3 1 5 0 2564.290 25.79 20.00 22.97 9.81 5.7 893.28 -83749 -34378 16187 -13075 -40112 -50005 -21031 -20036 -38551 -14552 -26657 -16774 -31091 15399 -1217 -5960 -7900 -3433 599 -2604 5582 -14154 -8496 -1920 -2151 -4131 -7589 -8172 -8448 7101 194 -3875 2008 -4774 -8973 -5942 -4136 -1466 3716 4434 578 6064 3911 3260 1459 5780 2141 1707 1897 3930 1533 2012 3109 4100 2136 3226 1129 -1484 -851 -650 2102 4017 3173 2835 2037 413 -251 -537 1307 1573 267 2021 533 -1541 -690 -2281 -2970 -2249 -3610 -3456 -1619 -2346 -1626 -1382 -1929 -102 39 834 411 982 448 -545 -1209 -1708 -1558 -702 458 308 725 -201 -1315 -1750 -1170 -1209 -1317 -1535 -557 624 1101 1082 1672 997 449 -290 -451 534 -127 76 460 540 941 686 1169 911 603 -23 51 -801 401 238 -7 -370 -276 45 -113 -304 168 404 -96 157 -322 -547 -917 -4762 -1491 446 -470 -1749 -2313 -756 -783 -1996 -631 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