File name: Pandora32s1_GreenbeltMD_20241105_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241106T045849.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20241105_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20241105 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: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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 20241105T134138.2Z 9075.570581 103 1 48.63 2 70.51 131.40 112.16 110.18 0.00 1 0.00 1 0 25 2.482e-01 5.057e-02 9.135e-02 1.517e-02 3.150697e-01 7.569836e-03 3.859937e-03 -6.000000e+00 1.398577e-01 224.35 -2.00 3.47 -2.00 318.47 0.00e+00 -2.610555e-03 1.524175e-03 9.828570e-04 -6.000000e+00 6.237776e-03 282.60 -2.00 20.00 -2.00 317.73 0.00e+00 2.963 0.000 302.00 328.00 3 6.7117e+00 2.0389e-02 3.3536e-02 -6.0000e+00 3.4490e-01 1.5430e-01 2.3384e-02 1.8029e-02 -6.0000e+00 3.7499e-01 -1.6460e-01 1.4840e-02 7.9398e-03 -6.0000e+00 2.2401e-01 1.0139e-01 7.5076e-03 3.4604e-03 -6.0000e+00 9.6240e-02 2.3455e-05 -8.4594e-05 4.4274e-04 3.4159e-05 -6.0000e+00 6.6043e-03 6.1745e-03 -2.0636e-04 12 8 8 10 0 0 99.85 21.31 1.66 0.00617 0.00554 19 4 1 5 0 2559.140 26.21 19.74 21.31 21.27 5.3 985.67 13465 90294 33010 103320 41432 -22806 103728 79873 53445 39922 40296 4881 57324 -111090 7422 17163 4603 32723 36525 68246 23282 8636 39865 35699 31046 22947 32244 34027 14525 17191 34078 1146 55509 5551 12429 3316 3851 7651 -4922 16746 5429 16396 26221 13868 12674 5568 3492 12761 3701 4731 -1754 9343 1498 8717 1189 204 122 1933 -569 -3959 8431 1859 3009 1438 -5241 -3766 -3031 1343 -3475 3545 -998 -9731 -370 313 -2418 -6194 -6759 -4456 -9249 -423 -5137 1063 -1312 -6464 2336 -4506 443 -2060 772 -732 -2336 5525 7956 -1662 2036 1844 -2137 952 3405 -1500 -1201 -4415 -5054 -2477 -2634 -508 1324 3413 1766 1831 1296 16 390 278 3740 -79 -911 -1577 -426 808 2002 1490 1296 823 -323 -1926 453 1507 715 972 369 2673 -2321 2002 2078 477 10 -4164 52 245 1021 -679 -3009 1106 4053 2556 4025 2530 -2311 3426 3654 3495 3141 3159 528 4150 -42749 1072 2488 785 4425 4938 7061 3715 1561 5433 5342 5176 4325 5592 5498 2597 2870 5026 247 7882 1305 2624 725 879 1932 -1668 5436 2167 6226 9313 5559 5097 2372 1494 4882 1517 1918 -791 4083 748 4290 653 116 71 1110 -328 -2303 4424 1097 1904 991 -3930 -2648 -1958 806 -2286 2450 -794 -8810 -310 253 -1888 -4562 -4525 -2761 -6134 -288 -4120 891 -1208 -6546 2314 -5064 503 -2476 910 -854 -2604 5299 6875 -1512 1868 1862 -2476 1181 4442 -2057 -1565 -5455 -5883 -2854 -3254 -655 1748 4615 2542 2801 2116 27 649 438 5320 -109 -1250 -2250 -637 1267 3186 2363 2010 1240 -471 -2729 599 1956 988 1442 581 4245 -3917 3359 3665 895 19 -8443 102 473 1889 -1224 -5375 SS 20241105T134604.7Z 9075.573665 106 1 2.34 2 69.86 132.30 111.38 110.74 0.00 1 0.00 1 0 17 2.961e-02 1.111e-02 3.511e-02 9.262e-03 3.095565e-01 4.623927e-03 3.733771e-03 -6.000000e+00 1.670240e-02 224.35 -2.00 3.47 -2.00 317.60 0.00e+00 -6.291680e-05 7.242259e-04 2.587812e-04 -6.000000e+00 7.447255e-04 282.60 -2.00 20.00 -2.00 316.87 0.00e+00 2.874 0.000 302.00 328.00 3 3.5678e+00 1.2190e-02 3.2301e-02 -6.0000e+00 4.1189e-02 4.4330e-02 1.3768e-02 1.5746e-02 -6.0000e+00 4.4772e-02 -1.4357e-02 8.5348e-03 7.7530e-03 -6.0000e+00 2.6746e-02 8.6170e-04 4.3396e-03 2.2291e-03 -6.0000e+00 1.1499e-02 6.0882e-04 -7.1532e-04 2.6242e-04 2.5021e-05 -6.0000e+00 7.8802e-04 2.3846e-03 -1.6297e-04 12 9 9 12 1 1 999.00 21.31 0.35 0.00238 -0.00299 1 10 1 5 0 1169.530 26.21 19.93 21.31 21.53 5.3 986.87 -15445 -11367 -4236 -8859 8585 -2948 2024 -4062 2874 3701 -2711 453 -7917 -1183 3680 1859 884 -846 4788 -130 -2038 -3968 2487 5070 -3599 32 -4061 -4033 -4434 4103 3329 -1277 8294 -177 2741 -5518 -6309 748 -791 4089 -1455 -988 -2605 825 3289 -806 -481 1290 -2854 1171 -1838 2497 23 460 2162 -62 931 -1188 3307 2233 3399 3817 3555 3033 -1348 -596 -1941 917 -1257 249 -497 -576 -397 -345 -1639 -508 -1703 -842 -1293 176 -1268 -1926 -2560 -875 -367 -1162 -103 541 -35 264 -213 1730 -182 498 109 674 1659 376 281 835 -702 -1112 -495 246 -1744 -2546 -1083 -513 849 1307 652 -298 291 1392 1015 -16 580 -247 -373 -15 -231 51 487 106 325 274 385 558 -504 779 -829 -35 324 296 1167 -680 -628 -705 -55 58 -815 471 107 -1417 -1136 -417 -889 668 -237 160 -377 283 390 -307 50 -1039 -168 575 330 169 -170 961 -28 -463 -917 547 1146 -931 8 -1122 -1078 -1122 939 797 -345 2251 -54 799 -1649 -1980 250 -312 1789 -727 -517 -1420 445 1745 -441 -262 683 -1544 616 -1026 1432 14 295 1415 -42 639 -832 2216 1488 2275 2666 2656 2409 -1128 -480 -1493 673 -965 206 -446 -537 -373 -318 -1464 -422 -1322 -622 -972 142 -1130 -1856 -2615 -915 -398 -1326 -121 652 -43 316 -246 1871 -188 496 112 736 1934 473 373 1113 -915 -1376 -582 289 -2175 -3333 -1446 -704 1191 1907 995 -467 450 2068 1440 -22 780 -341 -536 -22 -352 77 729 156 463 380 517 742 -700 1130 -1261 -54 507 473 1922 -1170 -1101 -1252 -98 103 -1417 794 177 SS 20241105T135537.4Z 9075.580294 109 1 6.64 2 68.52 134.29 109.73 111.96 0.00 1 0.00 1 0 17 3.551e-02 1.087e-02 3.015e-02 8.423e-03 2.808107e-01 4.198040e-03 3.357743e-03 -6.000000e+00 2.004117e-02 224.35 -2.00 3.47 -2.00 317.44 0.00e+00 -1.453836e-04 6.368386e-04 2.178480e-04 -6.000000e+00 8.931984e-04 282.60 -2.00 20.00 -2.00 316.72 0.00e+00 2.705 0.000 302.00 328.00 3 4.5754e+00 1.1050e-02 3.0115e-02 -6.0000e+00 4.9423e-02 2.0153e-02 1.2473e-02 1.4229e-02 -6.0000e+00 5.3713e-02 9.6800e-03 7.6482e-03 6.9971e-03 -6.0000e+00 3.2087e-02 -8.8724e-03 3.8637e-03 2.0135e-03 -6.0000e+00 1.3802e-02 2.7457e-04 -5.4938e-05 2.3939e-04 2.2200e-05 -6.0000e+00 9.4480e-04 1.1710e-03 -7.0570e-05 12 9 9 12 1 1 999.00 21.35 0.45 0.00117 0.00076 1 4 1 5 0 3316.320 26.21 19.82 21.35 22.01 5.2 988.39 9744 -15395 15677 -3661 5726 -14110 -4890 7318 11321 -2891 -4128 9032 -5157 -4176 1678 1618 3250 1300 597 4317 -2781 365 1209 -1243 454 6883 -1872 -765 1367 -9482 3220 4960 4551 659 -8360 2130 -1558 2060 -4136 -3085 -3191 -2159 3352 -2029 -745 1601 -2952 -776 -3312 3217 -2023 728 2054 251 5476 991 804 765 3163 -1323 579 947 418 2504 -508 951 -273 320 1387 14 1703 72 -161 -328 -282 83 -814 -492 -2386 -1285 -842 -1810 -403 -2755 -101 -1256 -524 148 -361 1905 -808 899 903 -77 2171 324 895 -263 1150 -389 -1024 -131 -239 -1159 -474 -1958 47 -137 573 263 671 119 -100 328 -141 -1012 -145 7 386 -276 1112 839 18 -428 322 807 -391 985 106 -461 33 -507 -213 -426 292 412 611 -402 -138 462 -229 -380 -445 787 -1772 1420 -387 504 -1384 -453 673 1137 -357 -520 1015 -719 -661 288 309 649 274 132 958 -678 87 287 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