File name: Pandora187s1_PittsburghPA_20210924_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T074904.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Luke 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_v2d20210517.txt Instrument calibration file used: Pandora187s1_CF_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20210924_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: 20210924 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 20210924T115043.7Z 7937.493562 411 1 6.46 2 83.05 96.86 60.33 261.75 0.00 1 0.00 1 0 25 6.402e-01 4.793e-02 5.677e-01 5.730e-02 8.286108e-01 3.443364e-02 9.188558e-03 -6.000000e+00 3.897561e-01 228.15 -2.00 3.49 -2.00 322.00 0.00e+00 -1.076432e-02 1.874011e-02 2.713757e-03 -6.000000e+00 2.234216e-02 285.77 -2.00 20.00 -2.00 321.48 0.00e+00 7.567 0.008 302.00 328.00 3 1.1969e+00 1.3097e-01 8.9620e-02 -6.0000e+00 9.7042e-01 6.5465e-01 1.7519e-01 6.1579e-02 -6.0000e+00 1.0609e+00 -1.0160e+00 1.3911e-01 2.3291e-02 -6.0000e+00 6.2292e-01 4.4499e-01 6.4497e-02 1.3559e-02 -6.0000e+00 2.7595e-01 5.0460e-05 -2.0768e-03 1.7518e-03 1.5511e-04 -6.0000e+00 1.9814e-02 9.4314e-03 -4.0200e-05 12 9 9 12 1 1 999.00 18.84 0.91 0.00943 -0.00617 2 7 1 5 0 2093.860 22.19 15.00 18.84 18.39 10.5 922.96 900000 900000 900000 900000 900000 900000 -93879 900000 -138969 900000 -189478 900000 900000 900000 -67854 900000 -80854 900000 133171 -87098 900000 900000 900000 -26521 -70270 -102386 155155 -74760 900000 -55594 98824 -37870 900000 27588 21996 900000 132072 900000 132386 147108 -29750 72978 87581 263333 -16388 900000 -38683 70129 271123 120374 53632 63875 3853 3239 900000 42451 171065 38616 113684 24766 35380 -814 71435 -4199 10757 -12039 35178 4145 18504 25038 33176 14750 -2720 25467 -18446 16873 -11263 1512 -17570 3231 -17385 13552 -6014 -3457 -4788 3134 3198 6118 7861 -4515 2029 -8526 17327 -6488 8721 2431 1999 -7286 -621 -6713 -379 -6178 -2062 -3679 -8164 960 -9988 4932 -835 2834 -4690 1777 -1902 3083 2479 1646 -1881 -2249 3679 2868 2570 -854 6420 -2219 1084 -547 5169 -867 3394 -2124 3630 -288 153 -1324 539 -1046 -318 148 -744 1815 -2405 -262 900000 900000 900000 900000 900000 900000 -5220 900000 -7727 900000 -10535 900000 900000 900000 -3773 900000 -4496 900000 7405 -4843 900000 900000 900000 -1475 -3907 -6131 8627 -4157 900000 -3091 5495 -2106 900000 1534 1223 900000 7343 900000 7361 8180 -2418 4058 4870 14642 -1121 900000 -3309 3899 15075 6693 2982 3552 363 332 900000 3541 9512 3221 6321 2180 2951 -109 5296 -720 1595 -2231 4238 749 3344 4757 6149 3281 -681 4366 -4359 2580 -2296 301 -5047 898 -6928 4458 -2592 -1554 -2330 1481 1556 2891 3533 -2155 855 -3911 6423 -3457 4687 1633 1565 -6955 -567 -6190 -297 -4637 -1462 -2830 -6998 797 -9996 4731 -971 3334 -6480 2372 -2603 4185 3274 2204 -2518 -3194 5098 3949 3679 -1215 8240 -3002 1376 -689 6490 -1223 5285 -3907 6832 -601 342 -3217 1353 -2725 -831 382 -1840 4059 -5216 -536 SS 20210924T115137.0Z 7937.494178 413 1 18.96 2 82.88 97.00 60.49 261.91 0.00 1 0.00 1 0 25 5.254e-01 1.572e-02 4.601e-01 1.526e-02 8.095429e-01 8.483247e-03 8.933874e-03 -6.000000e+00 3.029429e-01 228.15 -2.00 3.49 -2.00 322.03 0.00e+00 -4.230110e-04 5.252467e-03 3.923286e-03 -6.000000e+00 1.376667e-02 285.77 -2.00 20.00 -2.00 321.53 0.00e+00 7.418 0.007 302.00 328.00 3 1.1952e-01 3.4726e-02 8.7364e-02 -6.0000e+00 7.5227e-01 4.9970e-01 4.9853e-02 5.5327e-02 -6.0000e+00 8.1692e-01 -7.1629e-01 4.7285e-02 2.4808e-02 -6.0000e+00 4.8757e-01 2.8970e-01 2.1210e-02 7.0569e-03 -6.0000e+00 2.0773e-01 1.7453e-04 -1.4749e-03 4.2862e-04 1.0047e-04 -6.0000e+00 1.4681e-02 1.1367e-02 -5.5289e-05 12 9 9 12 1 1 92.90 18.84 0.41 0.01137 0.00028 29 22 1 5 0 625.890 22.19 15.00 18.84 18.39 10.5 922.96 -172948 900000 -140517 43520 -242184 -141670 -223702 -149616 -93744 -191830 -58754 -195254 -15190 -117422 -97790 -28116 -30271 -10943 -47500 -17435 -7587 -75749 -39011 -59256 3909 -45084 -34283 -13120 -62870 97525 -81067 -32624 62395 -2663 -28285 32825 -3874 -2522 1571 23172 20421 18397 17134 45580 23853 36041 16208 -6489 10174 9528 15640 9179 11808 13064 30994 15753 11686 18085 18694 5523 8991 20732 24381 15486 10367 10247 4581 6717 9795 10929 7119 9595 215 -196 580 -1747 -5239 -2464 -1051 -2052 -2220 1105 81 515 3598 -980 1496 4135 2330 2782 -2209 1172 -1154 -1308 -4628 -2668 -1185 -760 -1523 -281 -2395 -1348 -1674 -1467 -3448 -1273 -1486 -1110 143 -473 -449 1144 -364 447 137 -835 -132 -999 -31 -143 1596 1134 766 1434 -121 845 1057 577 1108 892 794 451 314 409 -447 -152 175 -736 -57 31 -160 -1232 -2573 900000 -2090 647 -4803 -2107 -4537 -2225 -1394 -3632 -874 -5017 -226 -2223 -1851 -418 -450 -163 -771 -259 -113 -1639 -633 -1282 58 -914 -603 -195 -1445 1451 -3179 -926 928 -67 -884 586 -115 -90 65 896 881 848 816 1627 1064 1447 820 -434 620 652 1140 792 1089 1282 2674 1640 1269 1775 1752 592 1003 2344 3046 2303 1635 1616 797 1259 2054 2536 1811 2369 55 -46 120 -343 -1083 -557 -282 -662 -836 450 36 242 1750 -525 806 2171 1206 1345 -1058 530 -559 -722 -3112 -2071 -1054 -746 -1534 -264 -2077 -1046 -1288 -1202 -3067 -1176 -1490 -1235 179 -677 -633 1627 -569 665 198 -1231 -203 -1637 -47 -237 2485 1705 1121 2015 -168 1135 1504 861 1892 1704 1645 1000 747 1046 -1212 -420 487 -2056 -151 77 -368 -2785 SS 20210924T115332.9Z 7937.495519 415 1 45.76 2 82.52 97.32 60.85 262.25 0.00 1 0.00 1 0 25 6.024e-01 1.269e-02 2.613e-01 6.778e-03 7.923191e-01 3.742517e-03 8.658151e-03 -6.000000e+00 3.473450e-01 228.15 -2.00 3.49 -2.00 321.95 0.00e+00 1.787444e-04 2.277930e-03 2.217261e-03 -6.000000e+00 1.558397e-02 285.77 -2.00 20.00 -2.00 321.44 0.00e+00 7.111 0.006 302.00 328.00 3 -2.6523e-01 1.5096e-02 8.2330e-02 -6.0000e+00 8.6255e-01 4.1214e-01 2.2319e-02 4.8745e-02 -6.0000e+00 9.3670e-01 -5.7764e-01 2.2091e-02 2.3488e-02 -6.0000e+00 5.5873e-01 2.2938e-01 9.8909e-03 7.3632e-03 -6.0000e+00 2.3686e-01 3.4585e-04 -1.5184e-03 1.9017e-04 8.8163e-05 -6.0000e+00 1.6835e-02 1.1709e-02 -7.0478e-05 12 8 8 10 0 0 -41.65 18.84 0.46 0.01171 0.00030 145 45 1 5 0 315.310 22.19 15.00 18.84 18.42 10.6 923.96 -155852 -178980 -138206 -176385 -200964 -180491 -210692 -198712 -165726 -198887 -174919 -195311 -106266 -87482 -110867 -78801 -89174 -33836 -79100 -45127 7625 -35794 -40197 -42652 -49894 -76730 -67147 -79045 -64800 -27665 -41434 -6626 26424 3106 -867 -8566 -5552 5839 12280 14981 8762 16626 12246 13781 10936 11700 10250 -3878 -3105 14580 11584 16367 15189 14521 19627 15059 13574 10192 13355 7117 7991 9578 11523 6790 6297 5717 2818 5777 7032 7536 9126 6253 2820 1318 381 -4333 -6144 -4574 -2416 -2023 -3786 -361 -1717 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