File name: Pandora187s1_PittsburghPA_20250105_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20250106T053529.7Z 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_20250105_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: 20250105 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 20250105T134105.2Z 9136.570199 68 1 46.40 2 81.76 129.25 118.91 65.46 0.00 1 0.00 1 0 25 6.335e-01 1.885e-02 4.075e-01 1.338e-02 8.435567e-01 7.613244e-03 9.401162e-03 -6.000000e+00 3.670184e-01 223.39 -2.00 3.49 -2.00 321.86 0.00e+00 2.922267e-03 4.011660e-03 3.292826e-03 -6.000000e+00 1.611048e-02 274.74 -2.00 20.00 -2.00 321.45 0.00e+00 6.554 0.005 302.00 328.00 3 2.0991e+00 2.7306e-02 7.9872e-02 -6.0000e+00 9.0864e-01 5.9241e-01 3.9251e-02 5.2696e-02 -6.0000e+00 9.9207e-01 -7.5398e-01 4.1844e-02 2.6544e-02 -6.0000e+00 5.8614e-01 2.9561e-01 1.9560e-02 8.5542e-03 -6.0000e+00 2.5294e-01 4.7532e-05 -1.8363e-03 3.7860e-04 1.2510e-04 -6.0000e+00 1.8045e-02 -9.3359e-03 -1.2873e-04 12 8 8 10 0 0 99.91 18.28 0.51 -0.00934 -0.02313 41 13 1 5 0 1131.450 21.69 15.00 18.28 -3.77 29.0 847.23 900000 900000 -68048 -176132 -228726 -149704 -105425 900000 -88174 -122696 -203227 -142197 139034 -54194 -140192 900000 -62713 69038 -89738 128586 900000 -94887 -102641 -38547 181272 -82716 -55312 18982 -944 -64093 -26270 -71261 900000 318570 -36065 -10494 158681 31063 -3546 82854 -13965 39757 37652 110870 7100 12875 11224 13945 -6383 21247 29482 -1202 15679 16787 46599 16014 29049 25574 46350 2267 11630 15901 32377 3271 14469 -738 14350 1523 9780 10955 8701 6717 9017 3531 -2392 34 -13608 -277 168 533 -8397 4220 -1308 -1170 2905 -224 -8401 1905 2733 4000 2373 385 2442 -767 -1518 -4312 -1889 -2843 222 784 1252 -2631 -1680 112 -3618 -2205 -1936 -1552 243 118 -662 1781 -1008 106 -486 -62 5 -263 -208 697 288 1422 935 1304 -525 -264 1688 1270 1024 -35 337 475 344 680 -86 -1029 305 -41 -150 -120 -285 -946 900000 900000 -887 -2472 -4815 -1951 -1374 900000 -1149 -1599 -4635 -2008 1812 -706 -4111 900000 -1158 900 -2534 1676 900000 -2782 -3344 -712 2362 -2605 -1321 247 -13 -1740 -654 -3096 900000 4152 -1410 -311 2068 773 -151 1767 -877 1554 1561 2233 404 702 638 810 -484 1334 1921 -120 1449 1671 3644 1764 2856 2545 3569 263 1268 1846 3682 566 2366 -140 2380 305 2028 2570 2268 1830 2318 883 -567 7 -3111 -59 42 160 -3253 1655 -594 -563 1428 -120 -5076 1054 1476 2028 1141 180 1123 -397 -923 -3193 -1605 -2799 228 784 1147 -2222 -1296 87 -3108 -1969 -1844 -1612 281 157 -992 2758 -1615 162 -721 -90 7 -413 -342 1144 457 2120 1350 1813 -719 -349 2204 1848 1739 -63 664 1003 776 1642 -223 -2782 825 -111 -398 -298 -656 -2058 SS 20250105T140339.8Z 9136.585877 77 1 45.79 2 78.53 133.40 115.02 69.70 0.00 1 0.00 1 0 17 4.070e-01 6.864e-03 1.495e-01 3.462e-03 6.612160e-01 1.866885e-03 7.503236e-03 -6.000000e+00 2.328555e-01 223.39 -2.00 3.49 -2.00 321.08 0.00e+00 2.373195e-03 8.262395e-04 1.286723e-03 -6.000000e+00 1.007264e-02 274.74 -2.00 20.00 -2.00 320.62 0.00e+00 4.867 0.002 302.00 328.00 3 1.7234e+00 6.0438e-03 5.8767e-02 -6.0000e+00 5.7438e-01 9.5645e-02 8.3091e-03 3.6959e-02 -6.0000e+00 6.2460e-01 -1.1417e-01 8.9473e-03 1.9186e-02 -6.0000e+00 3.7148e-01 3.2381e-02 4.3416e-03 6.8668e-03 -6.0000e+00 1.5948e-01 4.2158e-04 -1.0506e-03 9.9785e-05 7.8465e-05 -6.0000e+00 1.1327e-02 -1.0202e-02 -1.2324e-04 11 8 0 10 0 0 99.94 18.28 0.38 -0.01020 -0.01810 156 48 1 5 0 293.450 21.69 15.00 18.28 -2.13 29.4 860.29 -137522 -120232 -128960 -148604 -142184 -131348 -127589 -126539 -124176 -100628 -129724 -98640 -83772 -51754 -76451 -28518 -42130 -11884 -37438 -19216 -20291 -33498 -34367 -25085 -10751 -37495 -26823 -36729 -25017 -21054 -19146 -17856 16080 5716 -16165 -6251 -8384 -1313 -5437 3187 -4214 2391 1835 5486 571 982 1252 -587 -2609 356 3663 1369 3235 2470 5168 3675 4355 1429 2842 566 1716 2347 4505 3284 2372 592 24 278 1139 1539 1950 1767 880 1559 -386 -200 -2405 -2674 -5229 -1039 -1431 -1333 -1951 -1500 -389 235 -228 719 1638 1136 629 -574 -53 -644 -816 -678 374 587 213 99 -669 -878 -189 -85 -1679 -878 -1060 -90 273 158 247 353 475 -144 -150 169 -221 -132 -45 -420 5 313 507 333 151 -645 627 585 360 316 145 114 -70 78 -109 -344 171 109 -236 137 -137 -322 -886 -775 -989 -1368 -1134 -927 -940 -1048 -1143 -803 -1473 -938 -874 -508 -1220 -341 -659 -153 -678 -337 -370 -701 -766 -559 -225 -1088 -715 -1054 -633 -561 -601 -663 494 208 -709 -249 -379 -66 -351 226 -363 207 169 498 55 97 127 -63 -301 43 481 206 525 440 951 716 864 289 551 111 348 525 1127 930 705 175 7 86 392 605 833 780 383 630 -144 -67 -786 -912 -2095 -474 -764 -807 -1290 -1048 -288 183 -186 594 1324 878 455 -395 -36 -463 -668 -585 370 654 252 115 -719 -849 -188 -87 -1705 -931 -1196 -108 365 237 404 597 792 -231 -227 249 -335 -211 -76 -721 9 499 781 494 216 -895 854 868 608 596 272 226 -146 175 -259 -849 429 275 -586 320 -302 -675 SS 20250105T140751.3Z 9136.588788 80 1 0.65 2 77.96 134.19 114.28 70.46 0.00 1 0.00 1 0 17 4.621e-01 2.152e-02 4.860e-01 3.110e-02 6.149143e-01 1.669309e-02 6.901581e-03 -6.000000e+00 2.659553e-01 223.39 -2.00 3.49 -2.00 320.88 0.00e+00 -4.051938e-03 6.876812e-03 8.805152e-04 -6.000000e+00 1.202677e-02 274.74 -2.00 20.00 -2.00 320.41 0.00e+00 4.652 0.002 302.00 328.00 3 1.7189e+00 5.2179e-02 5.5115e-02 -6.0000e+00 6.5708e-01 3.5417e-02 6.7518e-02 3.3170e-02 -6.0000e+00 7.1531e-01 -1.6083e-01 6.4521e-02 1.6991e-02 -6.0000e+00 4.2349e-01 7.0451e-02 3.1730e-02 6.4716e-03 -6.0000e+00 1.8436e-01 5.7879e-04 -7.4903e-06 9.1100e-04 6.6275e-05 -6.0000e+00 1.3168e-02 -1.3911e-02 3.1609e-05 12 9 9 12 1 1 999.00 18.28 0.40 -0.01391 -0.01397 1 44 1 5 0 320.020 21.69 15.00 18.28 -1.77 29.5 862.33 900000 -105949 900000 -181230 900000 -215259 -51124 -196495 900000 -107929 -32770 -123622 -72809 46067 14743 53189 -37216 211347 -21351 3581 -63171 88213 -60994 135178 -44275 67598 -19510 -24252 14918 19902 17616 -19495 72829 -8582 57123 -20053 86328 1738 26989 4026 23831 -9821 3303 21057 6260 11161 16351 10647 5371 15980 11346 11872 -1744 8071 -1444 9583 -3487 12235 -12 8089 -5114 6168 7220 1047 4846 1975 7659 -3236 -1216 -3582 9909 4073 7040 5381 -1500 -7643 -1560 -1306 -3187 -582 -6735 2843 -4240 -1416 -1333 2660 -2977 2555 -3097 2051 -2382 852 572 -3320 -4245 -1781 3199 -1138 2203 -685 -466 -4078 2035 1454 1102 -1426 -167 -541 -460 490 -558 -192 1102 159 -2176 1103 -100 259 -926 1106 -2094 2782 1788 885 314 245 -232 1358 -843 336 462 451 68 -392 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