File name: Pandora187s1_PittsburghPA_20220129_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T081552.9Z 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_20220129_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: 20220129 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 20220129T131908.2Z 8064.554956 114 1 46.14 2 82.84 120.87 71.36 156.92 0.00 1 0.00 1 0 25 5.591e-01 1.861e-02 4.567e-01 1.491e-02 1.150209e+00 9.002533e-03 1.242574e-02 -6.000000e+00 3.266441e-01 224.19 -2.00 3.49 -2.00 322.49 0.00e+00 -7.663956e-03 5.277275e-03 4.837655e-03 -6.000000e+00 1.466080e-02 274.07 -2.00 20.00 -2.00 322.12 0.00e+00 7.394 0.007 302.00 328.00 3 3.8412e-01 3.5958e-02 9.7300e-02 -6.0000e+00 8.1260e-01 1.3026e+00 5.3968e-02 6.8592e-02 -6.0000e+00 8.9172e-01 -1.7288e+00 5.5284e-02 4.0826e-02 -6.0000e+00 5.2646e-01 6.7827e-01 2.5170e-02 1.5352e-02 -6.0000e+00 2.2300e-01 8.4927e-05 -1.8627e-03 3.8745e-04 2.7949e-04 -6.0000e+00 1.6204e-02 -1.4085e-02 1.2431e-06 12 8 8 10 0 0 -7.29 18.65 0.54 -0.01409 -0.02808 58 18 1 5 0 795.410 21.98 14.98 18.65 -8.45 12.7 824.09 129855 900000 900000 -137454 -144763 -185651 -141952 -101342 -125833 -145884 -165421 -99655 -126930 3797 -98485 213675 1272 900000 -84619 900000 900000 -90113 -83191 87636 70543 -86518 -64876 -57236 -44744 900000 -29097 70588 900000 900000 -47516 35043 900000 44989 24082 50855 -32725 1958 48039 900000 79832 38194 99499 31633 35644 38661 70335 9886 41322 28102 46828 65509 39439 38120 59480 18025 23725 21739 57166 31716 27298 14049 34661 22719 17461 17639 29947 9570 16743 -3460 10303 -19765 -13199 3623 6423 4891 1090 6587 8132 2460 6704 4383 4287 2649 2498 2908 -1547 -3476 4567 -6939 -2841 -3186 -1751 -1187 -2337 -1167 -2855 -3176 204 -1252 -7974 -1801 -4810 -2149 -931 -461 -542 1574 -590 -28 -21 -626 -628 -592 551 1165 829 2738 365 2022 299 1156 2218 386 1316 -397 51 -118 91 347 106 380 -253 -376 55 -130 -346 -1207 1884 900000 900000 -1995 -2101 -3592 -2060 -1471 -1826 -2470 -3601 -1446 -3014 55 -2598 3101 18 900000 -2456 900000 900000 -2378 -2195 1272 1024 -2739 -1540 -1133 -767 900000 -614 1024 900000 900000 -1442 509 900000 712 572 1073 -1727 75 1255 900000 1390 998 1444 964 1138 1346 2041 588 1979 1672 2446 2947 2289 2102 2417 1046 1343 1420 3069 2485 2337 1407 3018 2473 2306 2611 4128 1597 2405 -537 1211 -2868 -1839 489 1034 979 271 1778 2348 796 2189 1520 1518 946 859 932 -492 -1125 1471 -2940 -1402 -1905 -1227 -944 -1967 -929 -2067 -2009 117 -754 -5450 -1226 -3685 -1825 -925 -539 -721 2192 -857 -40 -30 -878 -917 -905 850 1723 1147 3497 462 2447 359 1354 2742 576 2337 -756 107 -273 229 939 303 1104 -741 -1085 149 -322 -776 -2569 SS 20220129T133037.1Z 8064.562929 117 1 45.79 2 80.98 122.90 70.59 159.41 0.00 1 0.00 1 0 25 7.698e-01 1.371e-02 2.565e-01 5.690e-03 9.799990e-01 3.242031e-03 1.047636e-02 -6.000000e+00 4.387578e-01 224.19 -2.00 3.49 -2.00 322.11 0.00e+00 3.420679e-03 1.772081e-03 3.924421e-03 -6.000000e+00 1.897217e-02 274.07 -2.00 20.00 -2.00 321.69 0.00e+00 6.051 0.004 302.00 328.00 3 3.0595e-01 1.1765e-02 8.2318e-02 -6.0000e+00 1.0842e+00 6.0489e-01 1.8770e-02 6.4089e-02 -6.0000e+00 1.1815e+00 -8.1421e-01 2.1252e-02 3.2991e-02 -6.0000e+00 7.0199e-01 3.2214e-01 9.6289e-03 1.0880e-02 -6.0000e+00 2.9824e-01 3.9484e-04 -1.4770e-03 1.4763e-04 1.4021e-04 -6.0000e+00 2.1465e-02 -1.5253e-02 -1.1113e-06 12 8 8 10 0 0 45.26 18.61 0.46 -0.01525 -0.02635 140 43 1 5 0 326.960 21.88 14.99 18.61 -7.21 12.8 833.61 -231067 -164258 -247741 -213767 -283946 -240859 -278001 -189208 -249900 -215108 -210896 -212605 -143608 -133735 -113043 -98656 -77466 -103716 -85771 -77288 -27363 -94397 -91226 -58525 -25808 -100045 -67137 -86521 -84650 -4379 -63601 17096 39552 13510 -62865 -2673 -17065 1322 4109 27938 2170 3550 28941 24115 23419 3902 26336 6326 17860 21488 26561 9628 21312 19930 24482 22442 20011 16553 15951 11054 8461 15731 13995 16576 8729 9868 6277 9198 6520 10251 8906 10072 7443 3101 2667 -5719 -5797 -3956 95 -1066 389 225 1360 -316 1968 758 2316 1669 926 1408 -304 -1588 -1593 -2212 -2549 -1723 -1394 -215 -1059 -335 -1660 -1310 -1001 -1312 -2994 -1814 -1916 -761 -71 -496 -210 55 122 -228 95 -583 -101 -360 64 380 1277 1594 1539 926 192 306 995 511 676 565 285 479 -22 167 -224 -47 48 -313 9 -3 -435 -841 -2030 -911 -2978 -1680 -4070 -2430 -4347 -1336 -3529 -2278 -2340 -3003 -1376 -1551 -1368 -1244 -899 -1726 -1255 -1053 -221 -1476 -1472 -738 -247 -2069 -982 -1484 -1494 -46 -1411 228 483 217 -1871 -49 -407 32 116 729 81 138 899 789 780 162 921 291 803 1049 1415 684 1490 1537 1902 1843 1688 1387 1274 914 765 1519 1615 2106 1250 1418 986 1541 1291 2207 2061 2297 1635 640 488 -1047 -1081 -821 23 -319 136 89 577 -145 932 380 1176 853 462 656 -136 -705 -744 -1193 -1650 -1324 -1260 -217 -1022 -338 -1518 -1050 -756 -1037 -2555 -1617 -1853 -815 -80 -648 -305 84 185 -337 136 -836 -151 -563 102 591 1856 2187 2041 1195 266 415 1282 767 1194 1139 634 1145 -57 425 -603 -130 131 -855 26 -9 -1043 -1920 SS 20220129T134247.0Z 8064.571377 122 1 45.38 2 79.06 125.10 69.86 162.09 0.00 1 0.00 1 0 25 7.489e-01 1.013e-02 1.152e-01 2.709e-03 8.422865e-01 1.489202e-03 9.229883e-03 -6.000000e+00 4.268712e-01 224.19 -2.00 3.49 -2.00 321.61 0.00e+00 2.018058e-03 7.505386e-04 2.103524e-03 -6.000000e+00 1.845683e-02 274.07 -2.00 20.00 -2.00 321.17 0.00e+00 5.082 0.002 302.00 328.00 3 2.1890e-01 5.1464e-03 6.7551e-02 -6.0000e+00 1.0548e+00 2.3985e-01 7.7997e-03 4.9035e-02 -6.0000e+00 1.1495e+00 -3.2069e-01 8.8469e-03 2.5802e-02 -6.0000e+00 6.8295e-01 1.2259e-01 4.1074e-03 8.5650e-03 -6.0000e+00 2.9018e-01 1.2541e-03 -1.1241e-03 7.2449e-05 1.1047e-04 -6.0000e+00 2.0881e-02 -1.5737e-02 3.9415e-06 12 8 8 10 0 0 19.96 18.61 0.32 -0.01574 -0.02418 261 80 1 5 0 173.820 21.88 15.01 18.61 -6.37 12.8 839.69 -248173 -211431 -244321 -231025 -265812 -240694 -247901 -219661 -224997 -216540 -208914 -189259 -146062 -135940 -115125 -87957 -76509 -75410 -68215 -66071 -57724 -79541 -60913 -57664 -58063 -67536 -56256 -68705 -57312 -34022 -40159 -14723 -8721 -4951 -21471 -15426 -10405 -2868 -3275 7526 1308 1785 4373 8318 7194 3693 7822 1732 8026 4076 11682 6541 11022 9104 11228 9669 8003 7399 5110 3558 3599 5585 7046 7309 3623 3697 2333 3570 3100 3998 4081 3667 2437 854 236 -2448 -3544 -3012 -1590 -1665 -531 -1462 -1455 -986 43 451 1329 1453 1117 775 -44 -929 -1271 -1739 -1869 -968 -243 78 -432 -453 -1235 -628 -408 -673 -1987 -1144 -854 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