File name: Pandora187s1_PittsburghPA_20231113_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T184341.5Z 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_20231113_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: 20231113 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 20231113T125158.0Z 8717.536088 60 1 46.29 2 82.66 121.26 86.34 122.45 0.00 1 0.00 1 0 25 6.193e-01 1.940e-02 4.536e-01 1.540e-02 8.305773e-01 8.878561e-03 9.255118e-03 -6.000000e+00 3.594630e-01 223.38 -2.00 3.49 -2.00 322.02 0.00e+00 -3.484272e-03 5.154286e-03 2.564359e-03 -6.000000e+00 1.648455e-02 279.58 -2.00 20.00 -2.00 321.59 0.00e+00 7.235 0.007 302.00 328.00 3 1.7201e+00 3.4764e-02 8.3828e-02 -6.0000e+00 8.8949e-01 5.1427e-01 5.1059e-02 4.8774e-02 -6.0000e+00 9.7252e-01 -7.8002e-01 5.1534e-02 2.7505e-02 -6.0000e+00 5.7782e-01 3.1247e-01 2.3334e-02 9.2263e-03 -6.0000e+00 2.4721e-01 4.1740e-05 -1.5376e-03 4.4504e-04 1.4705e-04 -6.0000e+00 1.7406e-02 4.4025e-03 3.3013e-05 12 8 8 10 0 0 -100.42 18.90 0.74 0.00440 -0.00715 44 14 1 5 0 1051.800 22.29 15.00 18.90 6.00 26.9 872.46 900000 -81917 -100727 -202925 -178193 -122968 -194478 -172861 -40856 -102372 -182033 900000 -193219 900000 -117875 900000 -33210 900000 -70809 900000 62568 -49009 -128399 54322 44488 -118277 -20898 -55928 107741 -63193 4484 13516 900000 280950 5093 -8404 215371 45731 18595 36482 -6010 36520 72194 39032 30270 46800 25336 22926 6157 7766 38258 27196 4295 18350 39651 22895 25275 28153 50135 -3008 -2839 17226 28361 26128 34578 12431 14587 5352 10412 11225 6856 3288 7812 -936 1469 -11181 -13024 -429 -5066 -278 -5870 5390 692 -668 3661 1316 3187 4650 636 4687 -1902 -397 2006 596 -2017 -3675 -3834 -4262 29 296 -1465 -2296 -980 -681 -4805 -2062 -2550 -1348 -72 -903 -1259 450 901 78 351 -118 453 455 -750 551 297 1754 199 1464 -155 304 2623 1320 1294 -125 697 -44 410 434 482 -831 -15 -229 -641 -289 278 -878 900000 -1229 -1511 -3297 -2672 -1844 -2917 -2592 -613 -1535 -3475 900000 -5796 900000 -2571 900000 -498 900000 -1448 900000 938 -802 -4902 815 667 -5160 -342 -1220 1616 -1551 67 221 900000 4213 104 -195 3230 892 586 1149 -295 1369 1949 1463 1226 1614 1102 1066 360 489 2008 1795 393 1596 2973 2129 2350 2491 3383 -334 -324 1783 3020 3213 4097 1827 2144 923 1936 2374 1645 838 1839 -222 304 -2364 -2715 -84 -1223 -77 -2034 1916 282 -294 1653 644 1591 2322 325 2186 -887 -175 873 289 -1171 -2563 -3139 -4008 28 277 -1285 -1811 -712 -511 -4028 -1778 -2371 -1360 -82 -1184 -1848 685 1374 117 501 -168 658 697 -1220 890 464 2577 288 2024 -211 401 3418 1948 2221 -248 1370 -94 928 1058 1253 -2259 -42 -633 -1724 -725 645 -1946 SS 20231113T130327.1Z 8717.544064 63 1 45.83 2 80.81 123.30 84.61 124.38 0.00 1 0.00 1 0 25 5.599e-01 9.145e-03 2.833e-01 5.502e-03 7.181456e-01 3.053724e-03 8.041433e-03 -6.000000e+00 3.199679e-01 223.38 -2.00 3.49 -2.00 321.56 0.00e+00 1.086751e-03 1.594982e-03 1.281905e-03 -6.000000e+00 1.413028e-02 279.58 -2.00 20.00 -2.00 321.07 0.00e+00 5.949 0.004 302.00 328.00 3 1.3866e+00 1.0818e-02 6.9307e-02 -6.0000e+00 7.8790e-01 1.1184e-01 1.5859e-02 4.0984e-02 -6.0000e+00 8.5652e-01 -1.9279e-01 1.7115e-02 2.1862e-02 -6.0000e+00 5.1089e-01 6.8643e-02 7.9678e-03 7.2860e-03 -6.0000e+00 2.1986e-01 2.1569e-04 -6.2855e-04 1.5973e-04 8.5885e-05 -6.0000e+00 1.5575e-02 4.1432e-03 4.4486e-06 11 8 0 10 0 0 -107.08 18.91 0.52 0.00414 -0.00058 118 36 1 5 0 388.240 22.29 15.00 18.91 7.60 27.2 884.64 -142885 -97478 -199372 -212286 -191229 -128393 -232861 -105107 -197339 -53413 -180577 -169428 -135424 -88949 -122406 -27461 -86681 -49986 -60522 -36214 -5163 -58531 -66751 -41359 -18759 -76188 -21345 -75283 -27467 -39532 -19773 -21788 54709 -4609 -22851 -16141 -14778 657 -5504 8028 -9601 7713 1080 6682 685 6593 883 4250 -782 -1894 2863 643 5388 3462 10562 4929 8329 2746 8628 -400 3084 1947 8818 5961 4787 2719 1170 1710 1686 3267 3369 3720 2107 2672 -1373 -1271 -5501 -2707 -2739 -1092 -2618 -668 -1529 -741 260 399 1239 1329 1504 1350 830 -720 446 -1022 -719 -1294 -504 -567 54 146 -939 -819 -455 -261 -2504 -1041 -1454 -646 193 353 -328 549 538 208 119 0 -35 -170 -263 -408 280 533 587 305 358 -428 932 714 967 494 419 327 13 -91 -304 -264 84 -183 -207 111 -278 -168 -766 -523 -1750 -2071 -1399 -689 -2839 -564 -2213 -287 -2025 -1983 -1453 -781 -1910 -201 -1310 -585 -856 -424 -45 -885 -1172 -625 -247 -1895 -344 -1836 -457 -827 -414 -561 763 -124 -711 -476 -484 22 -245 375 -603 439 69 412 46 424 62 303 -63 -168 273 71 624 448 1354 701 1175 405 1162 -58 457 327 1589 1241 1048 600 266 410 459 1003 1122 1269 710 833 -402 -337 -1470 -746 -880 -413 -1177 -335 -841 -430 160 260 837 912 1015 866 499 -419 255 -644 -521 -1103 -495 -632 57 151 -988 -772 -404 -240 -2533 -1095 -1640 -787 238 491 -504 867 842 314 171 0 -52 -261 -426 -669 443 806 858 431 489 -569 1232 1047 1619 931 861 714 30 -227 -741 -665 215 -472 -566 286 -672 -386 SS 20231113T131512.7Z 8717.552231 68 1 45.87 2 78.97 125.43 82.87 126.41 0.00 1 0.00 1 0 25 3.696e-01 6.430e-03 1.211e-01 2.712e-03 6.226048e-01 1.458058e-03 7.123730e-03 -6.000000e+00 2.112533e-01 223.38 -2.00 3.49 -2.00 321.07 0.00e+00 1.405794e-03 6.701539e-04 1.778703e-03 -6.000000e+00 9.328458e-03 279.58 -2.00 20.00 -2.00 320.55 0.00e+00 5.040 0.002 302.00 328.00 3 1.2146e+00 4.8481e-03 5.9320e-02 -6.0000e+00 5.2020e-01 2.4664e-02 6.6152e-03 3.5981e-02 -6.0000e+00 5.6547e-01 -6.5148e-02 6.8419e-03 1.7627e-02 -6.0000e+00 3.3729e-01 1.5937e-02 3.2952e-03 6.0531e-03 -6.0000e+00 1.4517e-01 6.4654e-04 -4.1805e-04 7.9911e-05 6.9888e-05 -6.0000e+00 1.0283e-02 3.5914e-03 2.1144e-05 11 8 0 10 0 0 -59.07 18.90 0.44 0.00359 0.00045 221 68 1 5 0 207.490 22.29 15.00 18.90 8.92 27.2 891.75 -129100 -92474 -115694 -91426 -135162 -129053 -154770 -123655 -113008 -86655 -102762 -89115 -90018 -45856 -57160 -39191 -41064 -21457 -32312 -25361 -12731 -25486 -30242 -16932 -10935 -28818 -18319 -27182 -17915 -17865 -13790 -11519 525 -5897 -14382 -12362 -9897 -5362 -2669 1351 490 1389 1764 2682 1853 2398 885 -311 -1125 362 1032 1997 2400 2490 3809 2847 2780 1243 2384 457 1163 2312 3388 2594 1387 1202 -403 -1 289 1424 1589 1530 1430 900 389 -958 -2064 -2374 -1706 -1703 -1162 -1215 -1966 -1537 -517 136 1014 698 1067 1072 770 -136 -11 -526 -803 -431 314 214 -19 159 -487 -663 -178 -399 -1753 -821 -887 -252 437 246 41 356 610 331 188 -199 -184 -529 -593 -586 -214 68 502 327 32 -440 789 708 724 454 401 448 149 91 -270 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