File name: Pandora187s1_PittsburghPA_20230820_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T175435.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 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_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20230820_L1_smca1c5d20230706p1-8.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: 20230820 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]: 305.0595 305.2010 305.3424 305.4838 305.6252 305.7666 305.9080 306.0494 306.1908 306.3321 306.4735 306.6148 306.7561 306.8974 307.0387 307.1800 307.3213 307.4626 307.6038 307.7451 307.8863 308.0275 308.1687 308.3099 308.4511 308.5923 308.7335 308.8746 309.0158 309.1569 309.2980 309.4391 309.5802 309.7213 309.8624 310.0035 310.1445 310.2856 310.4266 310.5676 310.7086 310.8496 310.9906 311.1316 311.2726 311.4135 311.5545 311.6954 311.8363 311.9772 312.1181 312.2590 312.3999 312.5408 312.6816 312.8225 312.9633 313.1041 313.2449 313.3857 313.5265 313.6673 313.8080 313.9488 314.0895 314.2303 314.3710 314.5117 314.6524 314.7931 314.9338 315.0744 315.2151 315.3557 315.4963 315.6370 315.7776 315.9182 316.0587 316.1993 316.3399 316.4804 316.6210 316.7615 316.9020 317.0425 317.1830 317.3235 317.4640 317.6044 317.7449 317.8853 318.0257 318.1662 318.3066 318.4470 318.5873 318.7277 318.8681 319.0084 319.1488 319.2891 319.4294 319.5697 319.7100 319.8503 319.9905 320.1308 320.2710 320.4113 320.5515 320.6917 320.8319 320.9721 321.1123 321.2524 321.3926 321.5327 321.6728 321.8130 321.9531 322.0932 322.2333 322.3733 322.5134 322.6534 322.7935 322.9335 323.0735 323.2135 323.3535 323.4935 323.6335 323.7734 323.9134 324.0533 324.1932 324.3332 324.4731 324.6129 324.7528 324.8927 --------------------------------------------------------------------------------------- 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 20230820T114034.2Z 8632.486507 68 1 45.25 2 78.72 83.20 121.05 66.13 0.00 1 0.00 1 0 17 3.729e-01 1.170e-02 3.327e-01 9.027e-03 5.794772e-01 5.017245e-03 6.691218e-03 -6.000000e+00 2.203747e-01 231.23 -2.00 3.49 -2.00 320.98 0.00e+00 9.962854e-04 2.284161e-03 1.561407e-03 -6.000000e+00 1.000874e-02 288.88 -2.00 20.00 -2.00 320.31 0.00e+00 4.937 0.002 302.00 328.00 3 3.5130e+00 1.6957e-02 5.7948e-02 -6.0000e+00 5.5177e-01 2.3537e-02 2.2518e-02 3.4369e-02 -6.0000e+00 5.9664e-01 -7.5710e-02 2.1037e-02 1.5889e-02 -6.0000e+00 3.5479e-01 2.5239e-02 1.0147e-02 5.9339e-03 -6.0000e+00 1.5263e-01 7.3376e-05 -1.3312e-04 2.7325e-04 5.6795e-05 -6.0000e+00 1.0473e-02 2.8332e-03 6.2236e-05 12 8 8 10 0 0 -40.43 17.57 0.88 0.00283 0.00183 25 8 1 5 0 1809.620 21.06 15.00 17.57 23.23 27.2 951.54 900000 63626 900000 -102422 -175066 -110807 68842 -67859 26309 -115449 -91992 -17111 -70993 96670 -83649 78574 -37457 155427 -47739 146586 1260 -52244 -71689 -6387 -1843 -25691 -24208 12853 -3115 -10848 -15449 -31235 900000 28627 -31 -15158 60956 -11697 -763 7702 -12308 -6311 9895 -1104 3436 8692 14549 -4077 -10428 -824 8646 -1629 -4286 208 7921 6050 5740 1063 9009 -5060 1461 8103 6095 964 8338 -1621 300 -87 1578 1940 4294 -359 1741 -2051 -2067 -1019 -5623 -4178 -4098 -1090 -4154 867 -2904 -1508 566 707 1697 1590 1352 2650 1100 387 2214 802 -1527 -1294 -71 -2005 185 209 799 -1083 1449 100 -2362 -1580 -1112 -838 949 -65 -342 966 -148 -111 -449 -307 -831 -205 414 -36 -334 808 -484 242 -288 106 845 1167 1276 125 656 373 164 590 90 -754 432 -738 -18 -64 146 -739 900000 560 900000 -901 -2940 -975 606 -597 231 -1662 -1103 -151 -965 850 -2007 691 -749 1367 -1260 1289 22 -1588 -2809 -157 -47 -881 -830 294 -82 -334 -584 -1621 900000 982 -1 -787 1662 -792 -57 630 -1375 -711 992 -126 381 933 1497 -520 -1477 -114 1209 -281 -830 42 1554 1261 1232 237 1815 -1171 333 1917 1662 304 2494 -518 93 -28 568 795 1870 -169 786 -904 -829 -366 -2008 -1522 -1698 -516 -2342 523 -1965 -1071 424 562 1399 1339 1127 2072 812 270 1478 574 -1265 -1233 -77 -2251 213 233 818 -1128 1410 104 -2697 -1887 -1277 -1031 1263 -96 -552 1573 -238 -169 -649 -433 -1214 -315 670 -61 -547 1265 -744 355 -408 144 1133 1692 2075 226 1270 759 353 1235 202 -1764 1020 -1781 -43 -155 335 -1643 SS 20230820T114700.7Z 8632.490981 71 1 45.89 2 77.51 84.21 119.98 67.43 0.00 1 0.00 1 0 25 2.204e-01 8.508e-03 2.603e-01 6.505e-03 5.403623e-01 3.539344e-03 6.256117e-03 -6.000000e+00 1.297726e-01 231.23 -2.00 3.49 -2.00 320.68 0.00e+00 3.497385e-03 1.467287e-03 6.761360e-04 -6.000000e+00 5.785408e-03 288.88 -2.00 20.00 -2.00 320.00 0.00e+00 4.491 0.002 302.00 328.00 3 3.4236e+00 1.1459e-02 5.2608e-02 -6.0000e+00 3.2443e-01 2.4103e-02 1.4776e-02 3.0415e-02 -6.0000e+00 3.5010e-01 -3.5851e-02 1.3522e-02 1.4924e-02 -6.0000e+00 2.0871e-01 1.5223e-03 6.6744e-03 6.7640e-03 -6.0000e+00 8.9150e-02 1.2325e-04 -5.8000e-04 1.9465e-04 6.1388e-05 -6.0000e+00 6.1458e-03 3.1074e-03 -1.0784e-05 11 8 0 10 0 0 -149.04 17.57 0.45 0.00311 -0.00125 34 10 1 5 0 1349.290 21.06 14.99 17.57 23.63 27.2 953.72 -63209 62106 -91505 66814 -132290 -60402 -60000 -3514 -49145 -28132 -64238 -25379 -15445 -16600 -57809 -20544 -6500 18913 -25732 -2304 22155 -31764 -33627 -1804 16017 -17003 -5519 -3156 -13177 -3684 -3872 495 49567 10777 -17058 765 295 -3766 -8104 1939 -8246 -1128 2268 1512 1930 3277 6275 -7298 -964 -3715 2483 -3583 -414 -1322 7009 2083 4049 636 4973 -2462 1411 3481 4912 1118 4018 1807 -1183 -325 -935 866 735 497 121 744 -1286 -529 -3349 -545 -1392 -2559 -1646 -1019 -1726 -1868 129 -399 1570 1066 1984 1522 1222 363 740 255 -533 -767 -304 -221 323 282 -406 -1076 -335 -61 -2972 -1572 -1167 83 749 -16 300 745 543 -259 -34 -33 127 -391 -21 -491 -263 251 -183 112 -275 -273 590 1251 1146 166 450 602 28 387 -239 -823 180 -279 -252 115 -49 -148 -437 394 -1055 424 -2060 -453 -484 -22 -453 -227 -778 -234 -160 -220 -1433 -415 -127 348 -727 -60 464 -1148 -1301 -55 437 -679 -200 -108 -493 -136 -167 24 1666 561 -1125 43 19 -294 -807 207 -1083 -147 301 207 268 459 868 -1185 -152 -643 447 -759 -92 -321 1645 533 1038 167 1227 -656 381 1022 1601 415 1471 650 -432 -122 -394 409 378 264 63 363 -584 -215 -1328 -216 -631 -1375 -1008 -696 -1276 -1469 107 -354 1429 905 1815 1328 992 277 546 198 -470 -708 -320 -260 395 335 -448 -1084 -354 -61 -3308 -1816 -1425 107 1054 -25 503 1264 898 -408 -50 -47 188 -617 -35 -846 -446 409 -290 170 -401 -383 813 1849 1895 304 881 1126 55 812 -537 -1925 426 -671 -594 258 -105 -303 SS 20230820T115234.0Z 8632.494838 74 1 45.73 2 76.46 85.09 119.05 68.54 0.00 1 0.00 1 0 25 1.667e-01 7.776e-03 1.464e-01 4.856e-03 5.025252e-01 2.606833e-03 5.844299e-03 -6.000000e+00 9.813252e-02 231.23 -2.00 3.49 -2.00 320.48 0.00e+00 1.196360e-03 9.891863e-04 1.005831e-03 -6.000000e+00 4.374420e-03 288.88 -2.00 20.00 -2.00 319.77 0.00e+00 4.166 0.001 302.00 328.00 3 3.3164e+00 8.1725e-03 4.8822e-02 -6.0000e+00 2.4533e-01 8.0299e-03 1.0287e-02 2.8219e-02 -6.0000e+00 2.6473e-01 -3.8701e-02 9.0062e-03 1.3222e-02 -6.0000e+00 1.5782e-01 5.7959e-03 4.5082e-03 4.5765e-03 -6.0000e+00 6.7421e-02 1.9629e-04 -2.3566e-04 1.4605e-04 4.6612e-05 -6.0000e+00 4.6474e-03 3.0190e-03 2.6165e-05 11 8 0 10 0 0 -78.61 17.58 0.61 0.00302 0.00125 45 14 1 5 0 1015.940 21.06 15.01 17.58 23.83 27.2 955.12 -30240 -4401 -84636 -13337 -99230 -51759 -43296 -38188 -25730 -35532 -57110 -44434 -32404 -20414 -30770 -3636 -5763 11121 -14393 -9133 4179 -21994 -25997 -11541 1110 -18758 -9704 -4001 -5599 -9467 -11167 -6246 27839 4500 -11536 -1443 -253 -4671 -8153 -185 -5891 2761 808 2426 1604 4300 2891 -76 -1435 -1057 4350 -2267 1061 319 5495 1693 1925 292 3350 -1471 1568 2744 3911 2068 2223 60 -673 -389 426 152 221 1320 901 932 -800 -294 -2594 -1966 -1442 -1627 -1991 -1239 -2405 -1823 -357 -154 1368 942 1654 1583 1377 143 734 -289 -871 -656 -95 185 307 -138 -394 -925 -353 38 -2004 -1346 -990 -19 520 231 4 832 332 2 -1 -216 -282 -427 -298 -642 -554 187 314 166 208 -355 964 1104 897 423 452 426 240 439 -98 -346 51 -145 -441 20 -133 -479 -234 -30 -1384 -103 -1666 -535 -447 -427 -288 -474 -983 -746 -586 -404 -821 -86 -169 300 -538 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