File name: Pandora187s1_PittsburghPA_20220122_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T081239.2Z 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_20220122_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: 20220122 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 20220122T132241.3Z 8057.557422 285 1 45.71 2 83.30 122.97 68.09 258.00 0.00 1 0.00 1 0 25 4.936e-01 2.511e-02 4.905e-01 2.237e-02 9.953208e-01 1.302504e-02 1.144613e-02 -6.000000e+00 2.856492e-01 223.94 -2.00 3.49 -2.00 322.36 0.00e+00 -1.798894e-02 7.109521e-03 1.833122e-03 -6.000000e+00 1.271105e-02 274.09 -2.00 20.00 -2.00 321.94 0.00e+00 7.822 0.009 302.00 328.00 3 8.7089e-01 4.9763e-02 9.4213e-02 -6.0000e+00 7.0873e-01 1.1793e+00 6.6833e-02 6.4195e-02 -6.0000e+00 7.7632e-01 -1.6537e+00 6.0401e-02 3.0926e-02 -6.0000e+00 4.6047e-01 6.5751e-01 2.8617e-02 2.0634e-02 -6.0000e+00 1.9577e-01 4.5715e-05 -1.9618e-03 6.1708e-04 3.2820e-04 -6.0000e+00 1.4150e-02 -1.2212e-02 -2.9694e-05 12 8 8 10 0 0 -40.46 18.61 0.79 -0.01221 -0.02695 34 10 1 5 0 1344.060 21.88 15.01 18.61 -8.60 12.6 815.31 900000 85114 900000 -80040 -160789 -147222 25135 -99614 49870 -100674 -92105 -50243 -37779 70036 2755 900000 45520 900000 -17863 179317 900000 -53890 -62958 85385 93712 -81992 24931 41900 46917 53866 -19998 115234 900000 103105 -25533 54588 900000 16417 55667 42496 16661 51620 83715 84147 139859 12932 110432 44464 -308 66545 98240 23017 56162 57374 41638 80202 65808 56525 69501 6944 42340 46121 62679 11731 35384 9146 19246 11183 8852 9950 26305 4534 20469 -305 -85 -17192 -16907 -2564 -6163 839 -12909 15581 5327 -5668 6949 5546 9011 7939 -2685 2948 -2033 -1949 5049 -7988 -2469 -5070 -621 -4319 -961 1077 -2190 -3709 -1317 -1004 -7862 -4894 -5209 -2195 672 416 -933 986 -1186 109 1085 -136 -805 -1178 1605 571 669 3422 804 2106 -1053 1145 3475 1086 2384 -1115 836 39 644 -327 -306 -185 180 -596 525 -48 -759 -937 900000 1854 900000 -1744 -6713 -5345 548 -2893 1086 -3472 -3010 -1186 -973 1526 60 900000 992 900000 -531 3906 900000 -2028 -2868 1860 2041 -5683 543 913 1022 1173 -673 2510 900000 2246 -1011 1189 900000 585 1654 1683 924 2045 2321 2166 3047 615 2406 1744 -20 2464 2996 1655 3181 3500 3175 4368 4157 3694 3634 635 2767 3215 4233 1457 3546 1195 2390 1657 1543 1929 4584 978 3523 -58 -14 -3071 -3020 -441 -1316 201 -4190 4345 1787 -2260 2589 2187 3514 3113 -1129 1098 -753 -713 1826 -3776 -1312 -3281 -450 -3669 -821 863 -1637 -2497 -826 -661 -5908 -3785 -4391 -2018 700 506 -1286 1410 -1749 156 1485 -188 -1168 -1804 2464 867 961 4548 1065 2675 -1344 1400 4375 1628 4160 -2302 1870 86 1535 -850 -841 -520 506 -1673 1385 -128 -1881 -2208 SS 20220122T133403.2Z 8057.565314 288 1 45.72 2 81.51 124.97 70.19 259.91 0.00 1 0.00 1 0 17 6.325e-01 1.468e-02 3.207e-01 7.464e-03 8.707823e-01 4.155926e-03 9.292646e-03 -6.000000e+00 3.600126e-01 223.94 -2.00 3.49 -2.00 321.99 0.00e+00 2.170472e-04 2.243610e-03 1.498383e-03 -6.000000e+00 1.558878e-02 274.09 -2.00 20.00 -2.00 321.57 0.00e+00 6.383 0.005 302.00 328.00 3 6.1215e-01 1.5014e-02 7.7387e-02 -6.0000e+00 8.8908e-01 5.0068e-01 2.3031e-02 4.9162e-02 -6.0000e+00 9.6919e-01 -7.0964e-01 2.5342e-02 2.7649e-02 -6.0000e+00 5.7597e-01 2.8397e-01 1.1630e-02 9.0451e-03 -6.0000e+00 2.4472e-01 2.5473e-04 -1.4888e-03 2.0722e-04 1.1282e-04 -6.0000e+00 1.7637e-02 -1.2463e-02 -1.9903e-05 12 8 8 10 0 0 70.28 18.66 0.54 -0.01246 -0.02365 100 31 1 5 0 457.130 21.98 14.99 18.66 -7.19 12.7 826.65 -161689 -110499 -140813 -193289 -214106 -189926 -260154 -129598 -242200 -201189 -215887 -150900 -152118 -109351 -132487 -15161 -85164 -35892 -12938 -17782 37972 -82460 -18374 -69327 3077 -92760 -23292 -70254 -43218 -35247 -24307 -15886 46757 58276 -29194 19188 21047 12962 -150 25372 -9841 22948 18713 32664 5266 16109 18153 13935 9877 12463 27743 13445 24049 11781 24037 18054 24615 12220 22386 4026 10896 6726 16366 12691 10652 5518 4978 9342 8234 9021 8601 9881 3678 2625 -38 -3278 -5557 -1426 -3354 -392 -2579 154 -289 -165 2023 580 3366 1354 1759 -292 505 -2597 247 -4126 -2750 -2462 -1006 -1207 -1052 -828 -2194 -992 -622 -254 -3227 -1287 -2085 -237 -25 188 -469 192 125 -299 73 -188 83 -238 -75 646 1216 1251 1213 798 105 155 1068 593 621 175 285 554 106 192 -174 4 -93 -135 34 -1 -659 -878 -1177 -804 -1025 -1993 -2467 -1885 -5207 -943 -5448 -3195 -4285 -1897 -2516 -1519 -2893 -120 -1521 -427 -128 -188 276 -1637 -207 -1422 33 -2639 -324 -1487 -715 -630 -482 -382 681 763 -871 363 444 358 -6 886 -537 952 831 1260 268 750 859 730 582 798 1736 1086 1925 1157 2204 1826 2347 1272 2004 428 1150 842 2156 1930 1698 928 877 1720 1762 2160 2197 2495 934 611 -8 -661 -1153 -317 -913 -125 -984 65 -131 -80 1018 311 1808 744 935 -149 240 -1240 119 -2354 -1829 -1934 -910 -1231 -1108 -831 -2012 -800 -480 -205 -2860 -1183 -2088 -259 -32 244 -675 285 184 -428 110 -285 118 -359 -117 984 1754 1893 1777 1134 145 209 1498 871 1061 339 601 1245 256 500 -478 12 -263 -380 93 -3 -1534 -1957 SS 20220122T134944.4Z 8057.576208 293 1 45.41 2 79.10 127.82 73.10 262.49 0.00 1 0.00 1 0 17 5.530e-01 8.461e-03 1.027e-01 2.647e-03 7.245792e-01 1.431669e-03 8.018245e-03 -6.000000e+00 3.147691e-01 223.94 -2.00 3.49 -2.00 321.35 0.00e+00 3.137251e-03 6.770186e-04 1.393488e-03 -6.000000e+00 1.362873e-02 274.09 -2.00 20.00 -2.00 320.90 0.00e+00 5.100 0.002 302.00 328.00 3 3.1518e-01 4.7805e-03 6.2755e-02 -6.0000e+00 7.7735e-01 1.5914e-01 6.7759e-03 4.0788e-02 -6.0000e+00 8.4737e-01 -2.0993e-01 7.4176e-03 2.0965e-02 -6.0000e+00 5.0357e-01 7.5628e-02 3.5307e-03 7.6410e-03 -6.0000e+00 2.1398e-01 1.3001e-03 -1.1013e-03 7.4972e-05 8.9640e-05 -6.0000e+00 1.5419e-02 -1.2979e-02 -1.1841e-05 11 8 0 10 0 0 67.86 18.66 0.38 -0.01298 -0.02125 255 78 1 5 0 178.020 21.98 15.00 18.66 -5.54 12.7 838.81 -179443 -174158 -148382 -205112 -184501 -213423 -174656 -182770 -137076 -168351 -135197 -147791 -99985 -91957 -77689 -58627 -63886 -39223 -56153 -29568 -44242 -33702 -45994 -30436 -41089 -43217 -46467 -35717 -43377 -23771 -31865 -10667 -988 -7084 -13935 -14708 -7125 -5992 2828 1391 4422 515 7198 2348 6811 3002 6965 3067 1929 4370 5337 4732 5504 6773 4642 6352 3313 4431 3245 2583 2328 5192 5156 4398 2013 1834 1114 1033 2391 2221 3008 1581 2396 175 436 -2671 -2199 -2968 -1477 -1272 -1235 -1342 -1800 -1283 -633 404 932 1016 862 1388 230 -713 -1334 -1407 -1273 -756 306 176 -237 -502 -805 -920 7 -924 -1466 -1179 -651 -34 464 183 1 204 429 -2 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