File name: Pandora187s1_PittsburghPA_20241118_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20241119T085706.9Z 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: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20241118_L1_smca1c3d20220705p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20241118 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: 194 335 Nominal wavelengths inside fitting window [nm]: 305.0947 305.2360 305.3774 305.5187 305.6601 305.8014 305.9427 306.0840 306.2253 306.3666 306.5079 306.6491 306.7904 306.9316 307.0728 307.2141 307.3553 307.4965 307.6376 307.7788 307.9200 308.0611 308.2023 308.3434 308.4845 308.6256 308.7667 308.9078 309.0489 309.1899 309.3310 309.4720 309.6131 309.7541 309.8951 310.0361 310.1771 310.3181 310.4591 310.6000 310.7410 310.8819 311.0228 311.1637 311.3046 311.4455 311.5864 311.7273 311.8681 312.0090 312.1498 312.2907 312.4315 312.5723 312.7131 312.8539 312.9946 313.1354 313.2761 313.4169 313.5576 313.6983 313.8390 313.9797 314.1204 314.2611 314.4018 314.5424 314.6831 314.8237 314.9643 315.1049 315.2455 315.3861 315.5267 315.6673 315.8078 315.9484 316.0889 316.2294 316.3699 316.5104 316.6509 316.7914 316.9319 317.0723 317.2128 317.3532 317.4936 317.6340 317.7744 317.9148 318.0552 318.1956 318.3359 318.4763 318.6166 318.7569 318.8972 319.0375 319.1778 319.3181 319.4584 319.5986 319.7389 319.8791 320.0193 320.1596 320.2998 320.4400 320.5801 320.7203 320.8605 321.0006 321.1407 321.2809 321.4210 321.5611 321.7012 321.8412 321.9813 322.1214 322.2614 322.4014 322.5415 322.6815 322.8215 322.9615 323.1014 323.2414 323.3814 323.5213 323.6612 323.8012 323.9411 324.0810 324.2209 324.3607 324.5006 324.6405 324.7803 324.9201 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20241118T140238.3Z 9088.585165 317 1 4.93 2 73.39 135.29 76.61 295.44 0.00 1 0.00 1 0 25 1.135e-01 1.199e-02 2.177e-01 1.855e-02 3.906707e-01 9.398385e-03 4.723833e-03 -6.000000e+00 6.490679e-02 223.15 -2.00 3.49 -2.00 319.29 0.00e+00 4.389506e-03 2.445486e-03 3.153986e-04 -6.000000e+00 2.857550e-03 278.89 -2.00 20.00 -2.00 318.69 0.00e+00 3.443 0.001 302.00 328.00 3 3.7068e+00 2.6075e-02 3.8720e-02 -6.0000e+00 1.5979e-01 3.1495e-02 3.0368e-02 2.0358e-02 -6.0000e+00 1.7366e-01 -1.9140e-02 2.3530e-02 1.0759e-02 -6.0000e+00 1.0356e-01 4.3774e-03 1.2480e-02 5.1086e-03 -6.0000e+00 4.4663e-02 2.9243e-04 -9.2111e-04 5.4860e-04 4.9969e-05 -6.0000e+00 3.1591e-03 -3.5316e-02 0.0000e+00 12 9 9 12 1 1 999.00 18.93 0.33 -0.03532 -0.04224 1 6 1 5 0 2458.540 22.29 14.99 18.93 19.40 30.8 955.52 -46427 -43609 5582 -16724 -22605 -34972 14602 7354 -34815 77563 5180 -7367 -35168 -766 -3846 3792 -12593 -5756 -8775 9332 450 5926 -15104 6241 9607 -17124 16979 -9354 5249 4956 1190 -2886 22669 -3182 2428 -8224 -2100 -5927 -5672 -448 1145 -3692 895 2191 1262 -666 -957 8081 -2308 -331 2784 274 2839 3335 -1482 337 2432 2157 753 -3646 1858 2441 4337 1916 3782 -3895 774 -3444 977 -616 360 230 1044 2768 333 -227 -1398 436 -159 -1134 -1153 -732 -2000 262 -2105 539 -729 79 -1026 640 1007 -1027 3966 -688 -668 -1518 585 1785 -94 -1067 -591 -1695 -94 -894 -1668 -1177 -1704 775 425 796 -418 709 1477 -254 -530 516 331 451 -69 -96 -1407 586 -92 1302 252 -271 1457 1758 -57 282 1200 -251 -317 251 76 -1077 120 223 -444 527 -784 -453 -1567 -1630 144 -484 -672 -1129 302 180 -1439 1403 154 -266 -1999 -38 -233 245 -1041 -476 -793 735 40 490 -1580 556 869 -2101 1491 -1027 481 474 132 -377 2547 -481 329 -1232 -326 -1118 -1282 -112 311 -1111 268 662 390 -212 -307 2369 -757 -110 971 106 1152 1430 -691 158 1134 1000 347 -1761 890 1274 2459 1120 2175 -2277 443 -2073 616 -418 262 174 769 1902 215 -142 -822 250 -101 -782 -904 -634 -1873 253 -2096 557 -801 88 -1148 670 1036 -993 3442 -637 -678 -1647 702 2350 -123 -1379 -749 -1985 -104 -1047 -2120 -1567 -2403 1062 629 1272 -676 1143 2408 -393 -766 757 468 671 -110 -159 -2365 941 -143 1924 359 -394 2035 2428 -88 468 1971 -431 -565 471 143 -2136 241 452 -897 1068 -1539 -853 SS 20241118T140738.5Z 9088.588641 320 1 45.68 2 72.73 136.31 77.44 296.11 0.00 1 0.00 1 0 25 4.028e-02 5.932e-03 2.734e-02 2.365e-03 3.828587e-01 1.204871e-03 4.622633e-03 -6.000000e+00 2.302477e-02 223.15 -2.00 3.49 -2.00 319.30 0.00e+00 6.126278e-04 3.086767e-04 3.440713e-04 -6.000000e+00 1.013747e-03 278.89 -2.00 20.00 -2.00 318.68 0.00e+00 3.319 0.001 302.00 328.00 3 2.5306e+00 3.3423e-03 3.7513e-02 -6.0000e+00 5.6684e-02 9.0773e-04 3.8946e-03 1.9879e-02 -6.0000e+00 6.1607e-02 -8.2319e-04 3.0122e-03 9.9502e-03 -6.0000e+00 3.6737e-02 -8.1009e-03 1.5966e-03 2.9780e-03 -6.0000e+00 1.5841e-02 1.1037e-03 -9.0962e-04 7.0891e-05 3.5327e-05 -6.0000e+00 1.1207e-03 -3.4343e-02 0.0000e+00 10 0 0 10 0 0 99.51 18.93 0.43 -0.03434 -0.04118 102 31 1 5 0 447.830 22.29 15.01 18.93 19.77 30.8 958.04 -4723 -6962 -2203 -16887 -12264 -16861 -18056 -15602 -8654 -13291 -12566 -10238 -5070 -5763 -4642 -1350 -3077 1430 -1780 2032 -1554 -2492 -4562 965 -1160 -3404 -1984 -2960 -3230 -254 -2492 -943 4739 -1270 -4146 -3960 -1884 -2537 -1689 -1137 -1410 -1457 -266 -76 826 -306 578 -556 -1019 -60 974 487 1009 1114 1475 1334 852 869 1258 934 1313 1912 2308 1760 172 -201 -144 -188 909 633 767 373 739 836 412 106 -653 -898 -2142 -1092 -1018 -1368 -2245 -1534 -679 -407 -443 641 861 859 718 -193 -68 92 -112 -337 534 508 -68 -163 -499 -843 126 112 -944 -841 -641 -446 305 261 103 95 353 91 164 238 -138 -113 -218 -511 -437 171 166 272 215 -197 633 1333 715 595 506 410 166 230 -108 -492 22 -166 -257 -29 -170 -522 -103 -175 -55 -471 -296 -414 -481 -458 -293 -506 -484 -411 -226 -308 -290 -93 -232 110 -149 172 -139 -225 -438 94 -123 -388 -224 -322 -335 -26 -290 -121 636 -188 -599 -570 -294 -470 -376 -296 -406 -443 -83 -24 260 -98 182 -177 -328 -20 344 188 415 488 670 626 410 415 585 435 635 1003 1330 997 99 -120 -82 -108 568 409 538 271 529 569 284 66 -379 -519 -1371 -795 -764 -1142 -2021 -1450 -684 -436 -497 728 968 919 710 -178 -59 81 -109 -368 651 629 -89 -206 -640 -992 142 132 -1215 -1137 -836 -615 448 415 173 161 575 139 232 325 -192 -167 -345 -843 -718 273 257 403 304 -292 906 1827 1078 972 874 731 307 416 -209 -988 45 -345 -528 -57 -321 -1034 SS 20241118T141654.4Z 9088.595074 326 1 17.05 2 71.53 138.23 78.95 297.38 0.00 1 0.00 1 0 25 5.598e-02 9.457e-03 7.080e-02 7.973e-03 3.626962e-01 4.036871e-03 4.388795e-03 -6.000000e+00 3.200603e-02 223.15 -2.00 3.49 -2.00 318.83 0.00e+00 7.359321e-05 9.057489e-04 3.046399e-04 -6.000000e+00 1.409000e-03 278.89 -2.00 20.00 -2.00 318.20 0.00e+00 3.117 0.000 302.00 328.00 3 4.1506e+00 1.0995e-02 3.5269e-02 -6.0000e+00 7.8796e-02 2.9222e-02 1.2644e-02 1.8664e-02 -6.0000e+00 8.5631e-02 6.2612e-03 9.1691e-03 9.3095e-03 -6.0000e+00 5.1063e-02 -1.1260e-02 4.8713e-03 2.7125e-03 -6.0000e+00 2.2025e-02 2.6549e-04 -4.1509e-04 2.3679e-04 3.1874e-05 -6.0000e+00 1.5577e-03 -3.6002e-02 0.0000e+00 12 9 9 12 1 1 99.65 18.93 0.21 -0.03600 -0.03912 4 4 1 5 0 3408.850 22.29 15.00 18.93 20.28 30.8 960.56 7913 13387 15708 -11085 -40461 -5829 -9054 13620 4219 -4046 -1201 7264 -2448 16449 -17282 -1958 -3891 7563 -835 3326 7125 -12387 -9445 2943 -381 -7126 2294 34 1648 -3162 -2545 -5152 16057 1831 -7166 -5778 -1500 -934 -2548 -622 -4185 377 201 1205 -468 1020 1728 -703 -1761 -3019 1318 -427 919 2080 4511 716 2281 39 1202 -1469 1948 2140 4176 1338 1848 -2970 587 -274 973 1232 -421 1202 -496 1095 140 728 -2939 -1274 -1040 -1197 -1749 -850 -1821 -1615 -260 -951 -1641 1473 1153 523 1090 866 431 23 -1067 -359 435 -447 273 570 -128 -1404 -106 630 -960 -760 -979 -536 460 985 136 242 -186 128 -67 571 -404 -484 -265 -379 -728 296 59 -103 232 -185 1335 1033 1318 246 610 495 571 426 -562 -243 83 224 -530 -153 -235 -861 232 416 498 -438 -1936 -192 -330 448 172 -191 -56 330 -142 935 -1612 -177 -384 706 -89 356 750 -1585 -1220 361 -51 -1078 317 5 206 -422 -370 -853 2372 322 -1307 -1037 -285 -208 -699 -196 -1507 137 75 453 -179 387 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