File name: Pandora187s1_PittsburghPA_20210927_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T074753.6Z 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_20210927_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: 20210927 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 20210927T115136.7Z 7940.494175 384 1 9.26 2 83.45 98.06 29.28 244.01 0.00 1 0.00 1 0 33 6.671e-01 6.704e-02 6.125e-01 7.681e-02 8.398267e-01 4.634524e-02 9.444576e-03 -6.000000e+00 4.136620e-01 227.82 -2.00 3.49 -2.00 322.07 0.00e+00 -6.119094e-03 2.234226e-02 7.900896e-03 -6.000000e+00 2.205272e-02 285.40 -2.00 20.00 -2.00 321.56 0.00e+00 7.954 0.009 302.00 328.00 3 1.5573e+00 1.7244e-01 1.0365e-01 -6.0000e+00 1.0323e+00 9.0008e-01 2.1173e-01 8.7260e-02 -6.0000e+00 1.1332e+00 -1.5710e+00 1.3523e-01 2.6732e-02 -6.0000e+00 6.6621e-01 7.2014e-01 6.8894e-02 1.2190e-02 -6.0000e+00 2.8569e-01 2.4737e-05 -1.9633e-03 2.3391e-03 9.3281e-05 -6.0000e+00 2.0529e-02 9.2742e-03 -1.1361e-05 12 9 9 12 1 1 999.00 18.92 0.87 0.00927 -0.00548 2 5 1 5 0 3027.210 22.19 15.00 18.92 20.03 10.9 936.94 900000 -85300 900000 32838 900000 -72167 900000 -155534 900000 -103138 900000 -46960 900000 38504 -5453 900000 4180 900000 -10076 900000 900000 900000 8524 900000 35546 -35878 6371 900000 170096 -50847 -36371 -65108 900000 900000 900000 -39222 900000 229007 67317 900000 900000 86326 900000 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1366 -6087 4308 3712 282 -8171 211 -1071 -4640 1389 1742 -2788 -143 -1815 75 6902 -5174 9434 -11460 792 2069 -7966 -7827 -1082 8603 -5483 -6664 1389 -127 -9619 -7161 -3004 2207 -4416 -6363 -8845 8934 2279 -2127 8586 311 3008 -8035 4530 -5000 2697 -922 9013 2436 8848 2104 5272 -5304 -424 3443 -3688 6946 3982 3412 -853 -238 -5316 10757 -11166 5643 -8508 5359 -7389 5773 -3578 SS 20210927T115234.8Z 7940.494847 386 1 18.00 2 83.27 98.22 29.44 244.30 0.00 1 0.00 1 0 25 5.503e-01 2.265e-02 4.917e-01 2.441e-02 8.495197e-01 1.439861e-02 9.428502e-03 -6.000000e+00 3.266972e-01 227.82 -2.00 3.49 -2.00 322.14 0.00e+00 1.844645e-03 8.964063e-03 5.759021e-03 -6.000000e+00 1.663886e-02 285.40 -2.00 20.00 -2.00 321.67 0.00e+00 7.776 0.008 302.00 328.00 3 4.4096e-01 5.9854e-02 9.5501e-02 -6.0000e+00 8.1778e-01 6.8444e-01 8.5484e-02 6.9300e-02 -6.0000e+00 8.9501e-01 -9.6100e-01 7.9323e-02 2.8870e-02 -6.0000e+00 5.2659e-01 3.8962e-01 3.5504e-02 8.0772e-03 -6.0000e+00 2.2529e-01 8.4321e-05 -2.5288e-03 7.1073e-04 1.1530e-04 -6.0000e+00 1.6172e-02 1.0547e-02 -5.0069e-05 12 9 9 12 1 1 76.06 18.92 0.64 0.01055 -0.00846 17 14 1 5 0 990.290 22.29 15.00 18.92 20.05 10.9 937.19 900000 900000 -150044 900000 -198335 900000 -250477 900000 -68323 900000 -143739 900000 900000 900000 -93079 900000 -80003 900000 59594 59528 900000 -91721 900000 -42800 111509 -117813 39113 -6887 -3990 11752 -52928 -12586 900000 125887 -18586 163859 -37455 69438 11769 226891 -25650 88493 26609 52836 20533 116445 30802 30372 731 11186 35631 3831 24873 9058 80248 13900 32833 7017 90446 2030 16697 12794 54846 10703 15496 13668 111 6360 13517 20896 6500 15896 946 17740 -5832 6879 -18056 10112 -1656 2395 -8861 -494 380 -1948 6099 -1727 2334 6668 6803 -581 -457 -4933 7886 -5571 -1291 -4706 424 -1509 -833 -1924 -2017 399 -2584 -2342 -4883 -2937 -3381 -1653 137 815 -295 1061 -1086 220 713 -1026 164 -1509 298 -193 2823 1828 205 622 1555 -17 3143 -414 1278 -934 1854 328 -226 402 781 -775 -101 -55 -1073 835 -1145 -563 900000 900000 -3560 900000 -4706 900000 -7925 900000 -1621 900000 -3411 900000 900000 900000 -2209 900000 -1898 900000 1414 1413 900000 -2572 900000 -1016 2646 -5083 928 -163 -95 279 -1599 -299 900000 2987 -481 3888 -1374 1648 381 5384 -1494 2100 1073 1630 877 2763 1243 1297 45 690 1945 318 1830 838 3808 1319 2571 683 3649 198 1506 1366 4425 1473 2059 1849 18 1056 2406 3868 1465 3244 211 3031 -1121 1077 -3685 1752 -389 648 -3133 -180 148 -827 2547 -819 1096 3006 2970 -257 -190 -2095 3088 -2842 -747 -3339 334 -1353 -761 -1690 -1599 278 -1809 -1740 -3963 -2481 -3113 -1671 156 1054 -421 1544 -1597 307 963 -1421 235 -2332 467 -300 4067 2551 282 826 1986 -21 4095 -645 2265 -1729 3632 698 -518 988 2014 -2075 -271 -148 -2762 1959 -2550 -1202 SS 20210927T115431.5Z 7940.496198 388 1 45.67 2 82.90 98.54 29.77 244.89 0.00 1 0.00 1 0 25 5.326e-01 1.463e-02 3.951e-01 1.091e-02 8.346163e-01 6.103642e-03 9.180421e-03 -6.000000e+00 3.067199e-01 227.82 -2.00 3.49 -2.00 322.08 0.00e+00 1.349382e-03 3.817712e-03 5.112270e-03 -6.000000e+00 1.375496e-02 285.40 -2.00 20.00 -2.00 321.60 0.00e+00 7.440 0.007 302.00 328.00 3 1.2222e-01 2.5281e-02 9.1155e-02 -6.0000e+00 7.6119e-01 5.7645e-01 3.6775e-02 6.5024e-02 -6.0000e+00 8.2684e-01 -8.1132e-01 3.5695e-02 2.7202e-02 -6.0000e+00 4.9322e-01 3.2502e-01 1.5978e-02 8.3447e-03 -6.0000e+00 2.0919e-01 1.6308e-04 -2.0861e-03 3.0325e-04 1.0744e-04 -6.0000e+00 1.4881e-02 1.0731e-02 -7.5234e-05 12 8 8 10 0 0 -62.88 18.92 0.53 0.01073 -0.00494 86 26 1 5 0 530.940 22.29 15.00 18.92 20.10 11.0 937.99 -89318 -165754 -166745 -191062 -143106 -162355 -214263 -161474 -76425 -176423 -64883 -199330 -35570 -36869 -114774 -22690 -102771 14555 -95268 19022 -34702 -41035 -46053 -26850 -33867 -56734 -68568 -77331 -61459 -8929 -41058 -8515 85207 9605 -16824 4139 22349 16092 12090 32121 20391 38742 29643 21798 20019 31810 20526 -3306 -2469 16566 16048 19114 7949 16449 34816 20935 17522 13655 19705 9419 6554 20718 22591 9664 15077 4628 7515 4593 6310 8328 10000 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