File name: Pandora187s1_PittsburghPA_20220116_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T081122.7Z 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_20220116_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: 20220116 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 20220116T132655.7Z 8051.560366 291 1 45.12 2 83.29 124.89 102.59 320.46 0.00 1 0.00 1 0 17 6.403e-01 2.623e-02 4.715e-01 2.241e-02 1.008254e+00 1.408652e-02 1.115802e-02 -6.000000e+00 3.924491e-01 223.72 -2.00 3.49 -2.00 322.34 0.00e+00 -2.007380e-02 8.307842e-03 2.105496e-03 -6.000000e+00 2.128923e-02 274.11 -2.00 20.00 -2.00 321.94 0.00e+00 7.809 0.009 302.00 328.00 3 1.1293e+00 5.5906e-02 9.8145e-02 -6.0000e+00 9.8187e-01 9.0886e-01 8.5753e-02 7.8233e-02 -6.0000e+00 1.0820e+00 -1.2860e+00 9.0570e-02 3.3215e-02 -6.0000e+00 6.3830e-01 5.2367e-01 4.0749e-02 2.1132e-02 -6.0000e+00 2.7738e-01 3.6097e-05 -1.8054e-03 6.6890e-04 3.2141e-04 -6.0000e+00 2.1080e-02 -1.2677e-02 4.5758e-05 12 8 8 10 0 0 77.62 18.66 0.91 -0.01268 -0.02624 24 7 1 5 0 1879.700 21.98 15.00 18.66 -3.75 12.8 846.94 900000 900000 900000 900000 -231047 -218844 900000 900000 900000 -114995 -191111 900000 -127060 17329 -66746 900000 900000 900000 1125 900000 900000 -50211 -8191 900000 900000 -79754 900000 900000 900000 900000 91658 -23486 900000 900000 -28202 900000 900000 900000 119757 119253 -9684 -2576 169999 900000 900000 133812 900000 138935 51020 209050 222685 -16676 -6063 31805 47216 130833 103743 58254 900000 8454 63636 24378 83740 16171 72545 -7840 10130 34327 10537 6964 30822 21180 20553 -3326 -242 -8020 -11764 24662 -653 2027 -10215 12933 920 -9116 10851 1375 7899 4595 -1212 4284 -515 -782 12476 -8057 -13 -6465 -5758 -2468 420 4099 -2612 -5106 1363 422 -7368 -4668 -9043 753 1904 684 -623 3616 -1911 -1084 283 -202 -385 -236 1885 271 354 2894 859 544 -571 897 3590 -134 2525 -1182 83 -52 -370 760 -160 -729 418 -111 761 -24 -1492 -278 900000 900000 900000 900000 -5016 -4751 900000 900000 900000 -2496 -5532 900000 -2758 376 -1449 900000 900000 900000 24 900000 900000 -1090 -178 900000 900000 -2676 900000 900000 900000 900000 1990 -510 900000 900000 -668 900000 900000 900000 2600 2589 -459 -117 3690 900000 900000 2905 900000 3016 1440 4538 4834 -1339 -487 1933 2665 3408 3603 3035 900000 624 2763 1746 3818 1615 4252 -1038 1188 3502 1578 1225 4550 3448 3168 -585 -36 -1184 -1813 2945 -121 440 -2971 3425 300 -3503 3628 528 2915 1746 -471 1479 -177 -266 3954 -3603 -6 -4014 -4162 -1950 335 3026 -1860 -3303 787 259 -5198 -3395 -7460 632 1843 781 -808 4750 -2679 -1473 369 -264 -522 -336 2700 386 474 3594 1056 651 -672 1016 4169 -187 4061 -2256 157 -107 -823 1803 -404 -1895 1081 -286 1842 -53 -3416 -596 SS 20220116T133828.2Z 8051.568382 294 1 46.20 2 81.51 126.93 103.91 322.63 0.00 1 0.00 1 0 25 6.687e-01 1.324e-02 4.244e-01 9.302e-03 8.704291e-01 5.208777e-03 9.275684e-03 -6.000000e+00 3.824754e-01 223.72 -2.00 3.49 -2.00 321.97 0.00e+00 -4.110178e-04 2.825598e-03 1.543845e-03 -6.000000e+00 1.673330e-02 274.11 -2.00 20.00 -2.00 321.55 0.00e+00 6.384 0.005 302.00 328.00 3 1.0721e+00 1.8844e-02 7.7411e-02 -6.0000e+00 9.4566e-01 3.8760e-01 2.9895e-02 4.9449e-02 -6.0000e+00 1.0323e+00 -5.2234e-01 3.3951e-02 2.8024e-02 -6.0000e+00 6.1366e-01 2.0485e-01 1.5480e-02 9.2127e-03 -6.0000e+00 2.6106e-01 1.6211e-04 -1.1128e-03 2.5892e-04 1.1256e-04 -6.0000e+00 1.8647e-02 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-4694 -699 -1579 -648 900000 -1996 -461 831 -452 -1150 -481 1088 -2453 -2481 -98 -1252 996 -2293 448 498 616 -822 328 183 -658 593 164 217 -533 1410 287 1131 95 1462 -263 785 626 1701 125 1301 369 1512 1776 1273 1576 1376 637 1281 1580 1367 1562 1190 930 462 1415 1370 1460 2014 1852 1754 -390 -17 -1500 -783 -953 265 -597 -1331 -252 -432 -844 833 628 1322 1211 134 641 -590 76 414 -1136 -2190 -892 -967 21 -1270 328 -1539 -779 -245 -361 -2678 -1853 -1523 -900 815 -468 -25 546 551 -505 447 -1110 -144 203 462 694 785 2054 468 1128 -1070 678 2005 1365 509 237 -256 1208 -267 869 -364 -873 1098 -1508 193 -295 106 -1744 SS 20220116T135430.2Z 8051.579517 299 1 45.68 2 79.12 129.85 105.62 325.74 0.00 1 0.00 1 0 17 5.634e-01 7.986e-03 1.058e-01 2.630e-03 7.289906e-01 1.417877e-03 8.084641e-03 -6.000000e+00 3.204970e-01 223.72 -2.00 3.49 -2.00 321.33 0.00e+00 1.545498e-03 6.707168e-04 1.534852e-03 -6.000000e+00 1.388685e-02 274.11 -2.00 20.00 -2.00 320.87 0.00e+00 5.106 0.002 302.00 328.00 3 3.3293e-01 4.7219e-03 6.2872e-02 -6.0000e+00 7.9112e-01 1.4114e-01 6.7549e-03 4.0842e-02 -6.0000e+00 8.6245e-01 -1.8491e-01 7.4554e-03 2.1222e-02 -6.0000e+00 5.1262e-01 6.6310e-02 3.5434e-03 6.9854e-03 -6.0000e+00 2.1797e-01 1.2729e-03 -9.4582e-04 7.3821e-05 8.7780e-05 -6.0000e+00 1.5708e-02 -1.4158e-02 -4.1907e-06 11 8 0 10 0 0 92.47 18.61 0.36 -0.01416 -0.02127 239 73 1 5 0 191.070 21.98 15.01 18.61 -1.93 13.0 860.06 -179821 -169284 -167488 -199418 -203494 -207132 -186695 -170461 -158304 -168522 -165951 -146232 -104685 -87216 -72170 -56823 -44443 -24025 -48702 -31327 -36958 -42623 -44215 -30127 -31863 -48741 -39087 -39732 -36614 -14504 -27664 -11638 671 -3960 -16145 -18794 -4684 -7726 1635 250 -214 1167 5912 4292 6491 2818 5081 1284 2232 4237 5546 3641 4315 5752 4834 5779 3161 3511 1983 2817 2696 4310 4898 3737 1657 858 134 1397 2121 1912 2867 1544 2062 555 207 -2054 -2665 -2452 -1392 -1467 -877 -1278 -1806 -1319 -350 695 996 1256 832 996 11 -740 -894 -1297 -1235 -343 262 87 -237 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