File name: Pandora187s1_PittsburghPA_20231212_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20240123T215922.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20231212_L1_smca1c3d20220705p1-8.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: 20231212 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]: 305.0947 305.2360 305.3774 305.5187 305.6601 305.8014 305.9427 306.0840 306.2253 306.3666 306.5079 306.6491 306.7904 306.9316 307.0728 307.2141 307.3553 307.4965 307.6376 307.7788 307.9200 308.0611 308.2023 308.3434 308.4845 308.6256 308.7667 308.9078 309.0489 309.1899 309.3310 309.4720 309.6131 309.7541 309.8951 310.0361 310.1771 310.3181 310.4591 310.6000 310.7410 310.8819 311.0228 311.1637 311.3046 311.4455 311.5864 311.7273 311.8681 312.0090 312.1498 312.2907 312.4315 312.5723 312.7131 312.8539 312.9946 313.1354 313.2761 313.4169 313.5576 313.6983 313.8390 313.9797 314.1204 314.2611 314.4018 314.5424 314.6831 314.8237 314.9643 315.1049 315.2455 315.3861 315.5267 315.6673 315.8078 315.9484 316.0889 316.2294 316.3699 316.5104 316.6509 316.7914 316.9319 317.0723 317.2128 317.3532 317.4936 317.6340 317.7744 317.9148 318.0552 318.1956 318.3359 318.4763 318.6166 318.7569 318.8972 319.0375 319.1778 319.3181 319.4584 319.5986 319.7389 319.8791 320.0193 320.1596 320.2998 320.4400 320.5801 320.7203 320.8605 321.0006 321.1407 321.2809 321.4210 321.5611 321.7012 321.8412 321.9813 322.1214 322.2614 322.4014 322.5415 322.6815 322.8215 322.9615 323.1014 323.2414 323.3814 323.5213 323.6612 323.8012 323.9411 324.0810 324.2209 324.3607 324.5006 324.6405 324.7803 324.9201 --------------------------------------------------------------------------------------- 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 20231212T132023.7Z 8746.555830 66 1 45.94 2 83.47 128.04 83.49 134.77 0.00 1 0.00 1 0 25 4.921e-01 1.848e-02 4.728e-01 1.625e-02 1.000510e+00 9.616531e-03 1.098050e-02 -6.000000e+00 2.850361e-01 222.81 -2.00 3.49 -2.00 322.35 0.00e+00 1.029453e-03 5.667663e-03 6.833246e-03 -6.000000e+00 1.269791e-02 276.37 -2.00 20.00 -2.00 321.95 0.00e+00 7.989 0.009 302.00 328.00 3 1.4371e-01 3.8161e-02 1.0232e-01 -6.0000e+00 7.0524e-01 1.0597e+00 5.5563e-02 7.6110e-02 -6.0000e+00 7.7214e-01 -1.3425e+00 5.6265e-02 3.7291e-02 -6.0000e+00 4.5820e-01 5.1677e-01 2.5678e-02 1.0676e-02 -6.0000e+00 1.9489e-01 7.3547e-05 -2.0250e-03 4.4676e-04 2.0084e-04 -6.0000e+00 1.3971e-02 -2.1425e-02 0.0000e+00 12 8 8 10 0 0 18.48 18.83 0.72 -0.02142 -0.03664 64 20 1 5 0 717.620 22.19 15.00 18.83 5.42 27.6 892.42 93505 34204 900000 -170297 -101293 -159924 -122258 -161432 -110200 -106685 -128516 -55662 -77910 900000 -111611 900000 -78883 900000 -84928 900000 29610 42592 -98718 900000 -13576 -99966 -33856 -122087 -24988 -53644 -65316 -18907 900000 80707 19671 1164 900000 -29919 66673 102552 14207 23278 118885 28203 41102 65044 24600 21731 -1710 42931 33138 26496 18066 44136 49474 42241 33325 55122 60768 -9811 5508 10803 35738 25639 26726 11908 31273 15802 14879 9432 22083 5267 19874 3292 4836 -14930 -12836 -1513 -2197 4069 -7539 10684 1058 2041 2696 5341 4536 8473 2193 4292 -5136 2147 -1743 1199 -3632 -4575 -4818 -5117 -392 -56 -1042 -2562 -1243 584 -3335 -4780 -2318 -1610 1251 -861 -847 1296 -502 -141 -252 -428 -505 -148 -39 1167 496 1272 550 1356 164 551 1742 1201 995 -446 722 295 -51 504 114 -206 28 -355 281 -121 18 -1485 1479 541 900000 -3143 -1603 -2530 -1934 -2554 -1744 -1688 -2033 -881 -1233 900000 -2890 900000 -1929 900000 -2443 900000 468 674 -2982 900000 -215 -3451 -584 -4741 -395 -1157 -1973 -435 900000 1277 340 23 900000 -1033 1055 1623 490 770 1881 892 1236 1544 895 860 -92 1630 1573 1509 1229 2514 2818 2673 2320 2965 2884 -900 444 923 2771 2515 2748 1432 3216 2050 2213 1686 3738 1067 3302 583 742 -2504 -2072 -239 -421 895 -2219 3026 361 733 1020 2062 1823 3298 888 1609 -1983 747 -651 489 -1856 -2838 -3560 -4380 -343 -48 -821 -1800 -791 372 -2358 -3623 -1848 -1419 1241 -1022 -1141 1833 -737 -203 -352 -592 -723 -222 -62 1787 725 1742 733 1740 207 677 2167 1714 1692 -892 1594 645 -122 1281 311 -578 78 -1009 766 -306 46 -3587 SS 20231212T133138.1Z 8746.563635 69 1 46.01 2 81.81 130.04 82.07 136.74 0.00 1 0.00 1 0 25 7.391e-01 1.129e-02 3.251e-01 5.962e-03 8.746729e-01 3.356746e-03 9.577006e-03 -6.000000e+00 4.212046e-01 222.81 -2.00 3.49 -2.00 321.99 0.00e+00 3.184042e-03 1.866847e-03 3.665418e-03 -6.000000e+00 1.839991e-02 276.37 -2.00 20.00 -2.00 321.58 0.00e+00 6.591 0.005 302.00 328.00 3 1.0293e-01 1.2467e-02 8.2176e-02 -6.0000e+00 1.0370e+00 4.1938e-01 1.9796e-02 5.8216e-02 -6.0000e+00 1.1285e+00 -5.4670e-01 2.2375e-02 2.9532e-02 -6.0000e+00 6.7211e-01 2.0808e-01 1.0163e-02 9.9260e-03 -6.0000e+00 2.8879e-01 3.4302e-04 -1.5795e-03 1.6519e-04 1.1771e-04 -6.0000e+00 2.0559e-02 -2.1852e-02 0.0000e+00 12 8 8 10 0 0 -53.62 18.83 0.59 -0.02185 -0.03372 157 48 1 5 0 293.040 22.19 15.00 18.83 6.18 27.6 896.90 -171893 -225074 -148948 -239583 -225505 -274555 -259021 -216389 -168210 -177089 -212988 -213607 -161878 -86846 -145639 -69316 -114663 -30622 -99335 -19425 -59827 -69836 -129331 18325 -78188 -93919 -69584 -85155 -74608 -46837 -60440 -34346 181713 -4151 -16822 -24458 2252 -12466 -50 3048 11366 12142 3723 15362 19565 9335 4239 10607 2535 10816 10556 9533 7264 14381 8386 20156 9854 16071 7893 2259 3352 10997 10941 10372 7751 4842 6140 4369 7553 5970 7836 4604 6637 -289 3112 -5021 -3947 -5271 -2116 -1675 -1385 334 -970 85 195 1181 1010 2797 1500 2390 -1218 -778 -2148 -1330 -2341 -1532 -978 -868 36 -147 -857 -1569 -458 -1316 -2295 -1782 -514 -1413 685 -270 -336 208 699 -176 -108 277 -463 -203 -517 57 314 987 954 818 396 -375 835 605 579 419 392 188 -59 274 -27 -327 240 -294 -80 119 -83 -836 -999 -1745 -866 -2205 -1639 -3192 -3012 -1830 -978 -1217 -2251 -2709 -1625 -551 -2155 -586 -1757 -227 -1575 -144 -664 -849 -3007 107 -1281 -1886 -1103 -1530 -1222 -668 -1246 -672 1056 -82 -362 -569 45 -341 -1 105 403 459 160 598 739 402 200 499 140 610 681 704 608 1229 809 1804 997 1495 762 226 347 1189 1380 1501 1217 785 1014 790 1506 1385 1931 1196 1624 -70 646 -1022 -778 -1143 -529 -506 -494 134 -433 40 97 616 548 1509 805 1205 -595 -364 -1035 -704 -1471 -1135 -849 -862 37 -150 -808 -1318 -353 -1053 -1980 -1613 -493 -1507 816 -340 -472 308 1034 -255 -165 416 -657 -302 -806 88 464 1514 1413 1174 553 -512 1144 849 952 786 812 418 -142 702 -73 -925 685 -843 -223 307 -200 -1898 SS 20231212T134301.3Z 8746.571543 72 1 45.89 2 80.18 132.11 80.68 138.79 0.00 1 0.00 1 0 25 6.414e-01 7.953e-03 1.428e-01 2.878e-03 7.663484e-01 1.588273e-03 8.580712e-03 -6.000000e+00 3.655588e-01 222.81 -2.00 3.49 -2.00 321.51 0.00e+00 2.444339e-03 8.016108e-04 2.183240e-03 -6.000000e+00 1.596816e-02 276.37 -2.00 20.00 -2.00 321.07 0.00e+00 5.607 0.003 302.00 328.00 3 -1.8286e-02 5.5348e-03 6.8922e-02 -6.0000e+00 9.0003e-01 1.5687e-01 8.2320e-03 4.5790e-02 -6.0000e+00 9.7940e-01 -2.0781e-01 9.2003e-03 2.3806e-02 -6.0000e+00 5.8331e-01 7.3586e-02 4.2994e-03 8.2962e-03 -6.0000e+00 2.5065e-01 1.0943e-03 -1.3104e-03 8.0327e-05 9.9699e-05 -6.0000e+00 1.7841e-02 -2.2360e-02 0.0000e+00 11 8 0 10 0 0 -92.18 18.83 0.37 -0.02236 -0.03221 306 94 1 5 0 149.870 22.19 14.99 18.83 6.64 27.6 900.49 -235022 -178790 -218603 -204978 -219162 -201507 -209997 -186620 -173750 -174527 -169863 -182303 -100760 -124421 -94058 -83365 -81895 -55060 -53165 -52057 -45770 -64621 -69771 -42380 -46400 -54397 -45021 -54858 -57907 -28691 -45032 -13259 3799 -5368 -26780 -12731 -14769 -5776 -8611 1467 -4009 621 3356 2466 5189 1460 4688 -359 3978 1854 6831 5077 7941 4326 6869 5410 4666 6648 2541 2405 2472 5237 5352 6265 1976 3766 1261 2180 1496 2334 2786 2594 1631 777 455 -1486 -2384 -3653 -1643 -1576 -609 -1144 -1317 -1554 -201 282 1068 887 1347 1031 476 -573 -1092 -1182 -1235 -854 -85 310 -224 -230 -867 -891 -101 -357 -1662 -1126 -966 -408 487 230 -6 226 535 145 212 75 -110 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