File name: Pandora187s1_PittsburghPA_20250122_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20250123T054403.8Z 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 v1.8.70 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20250122_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: 20250122 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 20250122T134905.0Z 9153.575752 267 1 1.53 2 79.16 127.64 66.78 213.89 0.00 1 0.00 1 0 25 4.810e-01 1.844e-02 5.037e-01 2.380e-02 8.206899e-01 1.326412e-02 1.315200e-02 -6.000000e+00 2.821915e-01 223.94 -2.00 3.49 -2.00 321.47 0.00e+00 6.712197e-03 6.431643e-03 1.641017e-02 -6.000000e+00 1.302659e-02 274.09 -2.00 20.00 -2.00 321.08 0.00e+00 5.126 0.002 302.00 328.00 3 1.4982e+00 4.4291e-02 9.3466e-02 -6.0000e+00 6.9836e-01 4.1580e-01 6.1169e-02 8.6769e-02 -6.0000e+00 7.5819e-01 -5.4762e-01 6.3411e-02 4.7739e-02 -6.0000e+00 4.4690e-01 2.0991e-01 3.0153e-02 1.7596e-02 -6.0000e+00 1.9356e-01 3.2731e-04 9.0680e-03 6.5013e-04 4.9231e-04 -6.0000e+00 1.3869e-02 -3.3742e-02 1.9290e-03 12 9 9 12 1 1 97.83 18.28 0.40 -0.03374 0.03440 3 37 1 5 0 380.290 21.69 15.00 18.28 -9.98 28.1 821.72 900000 -113061 -187868 -103388 -182552 -10657 -169995 900000 -172581 900000 -201809 -109376 -106378 900000 -67731 23759 -81281 -18837 -50878 -66624 -45575 -67898 -34876 -15547 900000 -89040 900000 -76517 900000 -34123 -39458 8242 116632 24387 -9719 27596 -6208 15502 -1330 96267 6372 52392 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-774 -2333 -817 -3766 -1425 654 1983 -383 -1592 -2313 -2040 -843 -2693 -134 -3120 -2258 -681 30 -869 550 -321 346 1388 -31 -1590 -1028 907 1085 1973 1624 2382 -292 1558 -628 3389 2832 192 1461 1759 1727 -1906 1147 462 -344 -377 -1355 -775 275 -2824 -705 SS 20250122T135501.7Z 9153.579881 270 1 45.78 2 78.28 128.74 67.42 215.21 0.00 1 0.00 1 0 17 5.549e-01 9.456e-03 4.024e-01 7.603e-03 7.705574e-01 4.172116e-03 8.648934e-03 -6.000000e+00 3.179825e-01 223.94 -2.00 3.49 -2.00 321.50 0.00e+00 1.032376e-03 2.052847e-03 3.417305e-03 -6.000000e+00 1.403799e-02 274.09 -2.00 20.00 -2.00 321.08 0.00e+00 4.768 0.002 302.00 328.00 3 2.8058e+00 1.4174e-02 6.4036e-02 -6.0000e+00 7.8550e-01 1.1430e-01 2.1814e-02 4.8728e-02 -6.0000e+00 8.5407e-01 -1.4626e-01 2.5293e-02 2.5300e-02 -6.0000e+00 5.0836e-01 4.7006e-02 1.1863e-02 7.8889e-03 -6.0000e+00 2.2024e-01 1.3729e-04 -1.4536e-03 2.1347e-04 1.0087e-04 -6.0000e+00 1.5467e-02 -8.1413e-03 -1.5321e-04 12 8 8 10 0 0 99.98 18.28 0.37 -0.00814 -0.01906 102 31 1 5 0 448.670 21.69 15.00 18.28 -9.30 28.3 827.33 -165895 900000 900000 -116141 -179204 -179414 -215108 -225010 -141460 -175885 -167712 -195334 -64707 -36717 -88310 9934 -59948 -32369 -51936 52075 -14377 -48103 -107728 -3529 -14809 -80372 -45913 -34825 -67052 -2450 -38425 -7699 159132 97478 -9418 -2733 11494 -15790 -7440 -1698 -575 -4379 8618 2153 6130 -1785 9891 559 6404 3130 8754 2580 2863 6135 6456 6961 4120 8876 2648 3030 -1630 5596 4629 4194 2114 -7761 2288 41 2853 4289 5036 1924 2147 124 889 -3393 -3452 -3675 -12463 -1151 -2336 59 -1229 -902 432 1720 -2947 2316 1678 2601 764 1599 230 216 -1309 -671 -142 100 300 130 -734 -962 282 927 -1754 -1787 -996 -689 778 -95 359 116 455 27 -211 -254 -8 -77 -333 -237 -230 520 154 771 -400 -156 368 1034 596 -81 256 219 -57 140 76 -402 69 -199 114 140 46 -598 -1229 900000 900000 -861 -1328 -1330 -1594 -2122 -1048 -1303 -1243 -2237 -479 -272 -773 74 -565 -262 -560 386 -116 -551 -2395 -34 -176 -1787 -817 -542 -1441 -31 -854 -154 1179 867 -237 -65 264 -573 -309 -81 -31 -263 479 131 363 -118 601 39 456 253 759 270 331 755 847 954 598 1217 373 418 -245 875 844 870 472 -1898 514 10 763 1300 1653 671 727 40 255 -915 -895 -1010 -4350 -431 -1040 29 -676 -525 265 1103 -2062 1562 1122 1637 456 899 131 132 -938 -560 -137 110 350 149 -777 -909 244 820 -1703 -1827 -1075 -806 1006 -140 531 181 702 45 -330 -388 -13 -125 -522 -375 -351 825 237 1132 -573 -214 505 1550 939 -145 499 453 -125 329 189 -1046 182 -528 294 339 103 -1279 SS 20250122T135924.4Z 9153.582921 273 1 1.93 2 77.63 129.57 67.91 216.17 0.00 1 0.00 1 0 25 5.447e-01 1.506e-02 4.705e-01 1.748e-02 7.344876e-01 9.347937e-03 8.110616e-03 -6.000000e+00 3.133668e-01 223.94 -2.00 3.49 -2.00 321.20 0.00e+00 -3.436887e-03 4.258014e-03 2.606411e-03 -6.000000e+00 1.350813e-02 274.09 -2.00 20.00 -2.00 320.77 0.00e+00 4.537 0.002 302.00 328.00 3 1.9885e+00 3.0527e-02 5.9606e-02 -6.0000e+00 7.7411e-01 1.0372e-01 4.2285e-02 4.2612e-02 -6.0000e+00 8.4045e-01 -2.1154e-01 4.4794e-02 2.1681e-02 -6.0000e+00 4.9968e-01 8.3984e-02 2.1526e-02 6.8491e-03 -6.0000e+00 2.1494e-01 4.1357e-04 2.6306e-03 4.8510e-04 8.5906e-05 -6.0000e+00 1.5157e-02 -1.5666e-02 6.4815e-04 12 9 9 12 1 1 99.96 18.28 0.55 -0.01567 0.00410 4 37 1 5 0 385.100 21.69 15.00 18.28 -8.83 28.4 830.15 -128257 -180650 -154035 5567 -266505 -164742 -201789 21790 -202352 49124 -191821 -91583 -138818 900000 -92042 157074 -93706 -13926 -41360 -25516 17756 -41925 -3268 -66378 8183 -64208 7470 -65682 22919 -32730 15792 -25688 94690 26134 -31780 16635 9967 23312 -1588 9129 -7183 19134 13826 27568 304 19195 10057 20660 4141 -2510 3477 8558 1202 14186 10015 3374 11584 1416 14253 614 17857 4435 10382 5933 6027 884 6826 1569 3654 3576 -981 4061 2096 2924 2196 395 -2795 -1670 -9777 -3450 -2425 -298 -3621 -1526 55 -1013 764 736 588 -727 642 12 -534 -2895 -1242 -3704 246 62 673 538 -823 -1555 81 204 -1070 -995 -1437 157 -733 718 220 1011 800 -20 -47 -375 317 -1202 -988 -845 572 1039 1061 -338 678 -795 1335 562 1768 -4 714 185 435 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