File name: Pandora187s1_PittsburghPA_20211110_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T075656.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20211110_L1_smca1c2d20210902p1-8.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: 20211110 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]: 305.1270 305.2683 305.4097 305.5510 305.6924 305.8337 305.9750 306.1163 306.2576 306.3989 306.5402 306.6814 306.8227 306.9639 307.1051 307.2464 307.3876 307.5288 307.6699 307.8111 307.9523 308.0934 308.2346 308.3757 308.5168 308.6579 308.7990 308.9401 309.0812 309.2222 309.3633 309.5043 309.6454 309.7864 309.9274 310.0684 310.2094 310.3504 310.4914 310.6323 310.7733 310.9142 311.0551 311.1960 311.3369 311.4778 311.6187 311.7596 311.9004 312.0413 312.1821 312.3230 312.4638 312.6046 312.7454 312.8862 313.0269 313.1677 313.3084 313.4492 313.5899 313.7306 313.8713 314.0120 314.1527 314.2934 314.4341 314.5747 314.7154 314.8560 314.9966 315.1372 315.2778 315.4184 315.5590 315.6996 315.8401 315.9807 316.1212 316.2617 316.4022 316.5427 316.6832 316.8237 316.9642 317.1046 317.2451 317.3855 317.5259 317.6663 317.8067 317.9471 318.0875 318.2279 318.3682 318.5086 318.6489 318.7892 318.9295 319.0698 319.2101 319.3504 319.4907 319.6309 319.7712 319.9114 320.0516 320.1919 320.3321 320.4723 320.6124 320.7526 320.8928 321.0329 321.1730 321.3132 321.4533 321.5934 321.7335 321.8735 322.0136 322.1537 322.2937 322.4337 322.5738 322.7138 322.8538 322.9938 323.1337 323.2737 323.4137 323.5536 323.6935 323.8335 323.9734 324.1133 324.2532 324.3930 324.5329 324.6728 324.8126 324.9524 --------------------------------------------------------------------------------------- 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 20211110T125757.8Z 7984.540253 67 1 46.10 2 81.14 121.90 146.61 70.58 0.00 1 0.00 1 0 25 4.958e-01 1.893e-02 3.117e-01 1.165e-02 6.734859e-01 6.443569e-03 7.641220e-03 -6.000000e+00 2.846164e-01 223.64 -2.00 3.49 -2.00 321.36 0.00e+00 -1.670960e-03 3.141388e-03 1.236743e-03 -6.000000e+00 1.338727e-02 279.96 -2.00 20.00 -2.00 320.82 0.00e+00 6.142 0.004 302.00 328.00 3 2.1672e+00 2.1903e-02 6.9005e-02 -6.0000e+00 7.0331e-01 2.5950e-01 2.9951e-02 3.6480e-02 -6.0000e+00 7.6846e-01 -3.4552e-01 2.9887e-02 1.9124e-02 -6.0000e+00 4.5712e-01 1.4350e-01 1.4210e-02 5.8582e-03 -6.0000e+00 1.9761e-01 8.3677e-05 -1.5026e-03 3.4400e-04 7.7653e-05 -6.0000e+00 1.4301e-02 -3.0295e-03 -6.6060e-05 12 8 8 10 0 0 97.81 18.73 0.81 -0.00303 -0.01432 19 6 1 5 0 2425.930 22.09 14.99 18.73 17.63 12.3 944.82 900000 900000 -227031 900000 -225291 -152754 -162111 900000 -123820 146516 -155998 -24981 -85322 900000 -84794 85851 -52769 900000 -56044 42582 900000 -71980 -60350 -62573 5811 -69743 24664 19366 40814 212 43367 -21769 58550 173964 23123 20517 63522 -7370 3743 49463 -16687 26322 3059 32418 3854 29378 38114 12392 -16248 8817 22658 1352 7209 3154 19855 6877 19622 194 20286 -3727 4794 7121 14700 7239 5855 -2795 5012 4903 4161 7553 4117 3500 -776 4355 -5873 -795 -8108 -6 -7497 1239 -5351 -177 -2819 -3601 -479 -1378 3279 1263 4233 2425 -88 -612 4909 -4601 -2658 -2378 -80 -1630 -713 757 -254 -1147 -806 988 -3751 -1933 -2980 849 260 275 -1045 2764 -187 -584 -573 -729 -127 148 1327 -73 27 1725 -59 611 -115 -277 2926 175 1546 298 859 387 -384 713 169 -314 -250 -932 -764 334 -33 -530 900000 900000 -6656 900000 -6043 -2049 -2676 900000 -1788 1663 -3541 -283 -1408 900000 -2099 974 -1198 900000 -1503 483 900000 -2376 -1930 -2259 114 -3022 448 352 602 5 837 -939 1262 1974 682 652 1514 -435 242 2358 -1685 1822 274 2171 346 2067 2509 1097 -2028 941 2366 193 1063 523 2929 1202 3051 36 2947 -689 871 1422 3086 1774 1455 -742 1257 1330 1303 2571 1542 1327 -293 1438 -1926 -227 -2466 -2 -2901 519 -2763 -97 -1695 -2330 -321 -983 2311 913 2887 1580 -55 -368 2841 -3237 -2120 -2196 -83 -1727 -763 835 -256 -1062 -731 939 -3985 -2128 -3554 1067 335 395 -1634 4223 -287 -854 -801 -1019 -184 225 2091 -117 42 2510 -85 837 -154 -357 3788 261 2580 556 1706 814 -866 1699 391 -748 -605 -2262 -1941 789 -73 -1147 SS 20211110T135416.8Z 7984.579361 100 1 44.97 2 72.62 132.59 136.66 82.24 0.00 1 0.00 1 0 17 3.181e-01 1.342e-02 2.309e-01 1.128e-02 3.924540e-01 5.736399e-03 4.725890e-03 -6.000000e+00 1.807975e-01 223.64 -2.00 3.49 -2.00 319.62 0.00e+00 1.661287e-04 1.647200e-03 1.147807e-03 -6.000000e+00 8.123945e-03 279.95 -2.00 20.00 -2.00 318.97 0.00e+00 3.299 0.001 302.00 328.00 3 4.8746e+00 1.6253e-02 3.7941e-02 -6.0000e+00 4.4529e-01 4.2531e-02 1.9323e-02 2.1518e-02 -6.0000e+00 4.8512e-01 4.8946e-02 1.5661e-02 1.0313e-02 -6.0000e+00 2.8956e-01 -2.5261e-02 8.1924e-03 2.9840e-03 -6.0000e+00 1.2433e-01 1.0177e-04 -2.2722e-04 3.4326e-04 3.5357e-05 -6.0000e+00 8.8710e-03 -6.1713e-03 7.0838e-05 12 8 8 10 0 0 99.89 18.74 1.31 -0.00617 -0.00788 18 6 1 5 0 2497.690 22.09 15.00 18.74 18.63 12.4 951.46 10499 900000 -57723 312906 -20533 77445 69836 60820 102461 47378 20261 8547 29047 -572 -15534 -6324 475 28357 -1707 12346 45696 -21185 -4183 -9846 -8918 -2780 1569 5476 -9119 5751 -1484 4114 1832 18138 521 8216 8704 -3764 -752 2068 -7993 -1818 -4190 5060 113 -865 5754 -6191 -5905 -2996 4393 -3297 -1616 706 2175 4413 4305 753 3883 1151 -1643 4012 2111 -483 3165 -2185 -2419 601 -1680 801 2129 247 8 -400 -1042 1042 -4181 -534 -2317 -769 -2230 -1800 -3098 -2554 773 -563 1150 1941 1315 3881 -102 424 2478 -1016 -1406 -153 1029 -251 -839 2243 265 -968 81 373 -2150 -1490 -1007 1136 1371 909 -482 1601 -150 -1210 -1062 -1381 -97 -407 233 -727 -570 720 -1295 430 -1159 -279 2442 -117 1157 -367 314 443 544 1047 14 -1138 1014 -248 64 -122 -248 -749 165 900000 -1994 3440 -419 851 768 771 1126 801 463 246 811 -26 -946 -390 29 1415 -121 793 2125 -1953 -347 -932 -890 -270 143 454 -856 496 -154 452 225 1871 61 938 1133 -668 -156 479 -2210 -495 -1201 1331 31 -244 1508 -1832 -1773 -925 1374 -1204 -622 281 881 1799 1773 316 1550 479 -749 1903 1119 -275 1675 -1148 -1246 314 -1013 526 1465 175 5 -258 -612 588 -2363 -302 -1391 -521 -1724 -1511 -2784 -2429 763 -596 1240 2092 1388 3728 -94 359 1997 -896 -1388 -168 1253 -335 -1133 2779 307 -1050 87 429 -2699 -1947 -1381 1621 2110 1510 -840 2691 -243 -1835 -1513 -1949 -141 -628 377 -1211 -931 1128 -1993 619 -1619 -369 3167 -167 1790 -617 547 791 1015 2062 28 -2299 2043 -508 137 -249 -484 -1433 SS 20211110T135939.6Z 7984.583097 103 1 45.72 2 71.87 133.69 135.69 83.19 0.00 1 0.00 1 0 25 7.373e-02 7.623e-03 1.248e-01 1.016e-02 3.752325e-01 5.117435e-03 4.434594e-03 -6.000000e+00 4.191571e-02 223.64 -2.00 3.49 -2.00 319.68 0.00e+00 -3.383763e-05 1.459577e-03 7.738041e-04 -6.000000e+00 1.861311e-03 279.95 -2.00 20.00 -2.00 319.03 0.00e+00 3.172 0.001 302.00 328.00 3 3.8916e+00 1.4601e-02 3.6157e-02 -6.0000e+00 1.0324e-01 1.6040e-02 1.7289e-02 1.9750e-02 -6.0000e+00 1.1246e-01 1.3999e-02 1.3658e-02 9.7056e-03 -6.0000e+00 6.7082e-02 -1.1957e-02 7.1225e-03 2.8140e-03 -6.0000e+00 2.8653e-02 3.2427e-04 -2.3930e-05 3.1497e-04 3.4517e-05 -6.0000e+00 2.0561e-03 -6.1402e-03 1.2373e-04 11 8 0 10 0 0 99.98 18.73 0.62 -0.00614 -0.00632 215 66 1 5 0 212.620 22.09 15.00 18.73 18.87 12.5 954.09 -3379 1418 -31756 -28842 -27695 -22419 -48133 19120 -7010 3021 -18195 -5355 -2036 8904 -10562 6637 275 11812 -6677 7543 3600 -7170 -3140 -1586 6264 -9750 -6165 -10629 -4303 4280 -172 3209 2610 3577 -7525 -883 -412 -2886 652 1687 -3572 877 -88 1356 1543 282 2346 -2280 -3396 158 2280 -1262 1010 -1639 1399 2009 150 1018 2292 1279 989 2257 3497 571 -444 -685 -623 -238 347 956 1004 1321 845 1198 218 -1270 -1807 -1813 -1731 -716 -2558 -786 -2137 -1409 -315 -345 107 917 640 1689 165 -186 839 -769 -322 -302 682 461 -74 228 -751 -186 51 495 -1308 -796 -1186 457 443 419 -496 544 449 -126 -37 -215 -668 -612 -721 -635 -93 266 127 295 91 -446 1384 808 1241 659 409 395 88 594 -76 -381 -126 -159 -211 61 -521 -378 -73 32 -996 -809 -708 -555 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