File name: Pandora187s1_PittsburghPA_20231019_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T183209.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20231019_L1_smca1c5d20230706p1-8.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: 20231019 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]: 305.0595 305.2010 305.3424 305.4838 305.6252 305.7666 305.9080 306.0494 306.1908 306.3321 306.4735 306.6148 306.7561 306.8974 307.0387 307.1800 307.3213 307.4626 307.6038 307.7451 307.8863 308.0275 308.1687 308.3099 308.4511 308.5923 308.7335 308.8746 309.0158 309.1569 309.2980 309.4391 309.5802 309.7213 309.8624 310.0035 310.1445 310.2856 310.4266 310.5676 310.7086 310.8496 310.9906 311.1316 311.2726 311.4135 311.5545 311.6954 311.8363 311.9772 312.1181 312.2590 312.3999 312.5408 312.6816 312.8225 312.9633 313.1041 313.2449 313.3857 313.5265 313.6673 313.8080 313.9488 314.0895 314.2303 314.3710 314.5117 314.6524 314.7931 314.9338 315.0744 315.2151 315.3557 315.4963 315.6370 315.7776 315.9182 316.0587 316.1993 316.3399 316.4804 316.6210 316.7615 316.9020 317.0425 317.1830 317.3235 317.4640 317.6044 317.7449 317.8853 318.0257 318.1662 318.3066 318.4470 318.5873 318.7277 318.8681 319.0084 319.1488 319.2891 319.4294 319.5697 319.7100 319.8503 319.9905 320.1308 320.2710 320.4113 320.5515 320.6917 320.8319 320.9721 321.1123 321.2524 321.3926 321.5327 321.6728 321.8130 321.9531 322.0932 322.2333 322.3733 322.5134 322.6534 322.7935 322.9335 323.0735 323.2135 323.3535 323.4935 323.6335 323.7734 323.9134 324.0533 324.1932 324.3332 324.4731 324.6129 324.7528 324.8927 --------------------------------------------------------------------------------------- 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 20231019T121906.6Z 8692.513271 59 1 46.35 2 82.77 109.76 137.10 89.37 0.00 1 0.00 1 0 25 6.033e-01 1.616e-02 4.309e-01 1.412e-02 7.819497e-01 8.208160e-03 8.706519e-03 -6.000000e+00 3.562886e-01 225.54 -2.00 3.49 -2.00 321.92 0.00e+00 3.482634e-03 4.868877e-03 2.535152e-03 -6.000000e+00 1.727141e-02 282.70 -2.00 20.00 -2.00 321.46 0.00e+00 7.328 0.007 302.00 328.00 3 1.5317e+00 3.2473e-02 8.3222e-02 -6.0000e+00 8.8722e-01 3.8645e-01 4.8292e-02 4.5868e-02 -6.0000e+00 9.6944e-01 -5.1433e-01 4.9686e-02 2.5800e-02 -6.0000e+00 5.7693e-01 1.9483e-01 2.2413e-02 8.8414e-03 -6.0000e+00 2.4772e-01 4.7242e-05 -4.9557e-04 4.2076e-04 1.3855e-04 -6.0000e+00 1.7199e-02 6.0572e-03 3.8840e-05 12 8 8 10 0 0 -104.99 18.98 0.68 0.00606 0.00233 46 14 1 5 0 1007.460 22.40 15.01 18.98 12.64 27.1 898.89 900000 900000 -213487 900000 -261499 -87 -213376 -121812 -133909 900000 -224257 -105922 -126928 -1893 -138740 900000 900000 900000 -38659 46231 900000 -92929 -124425 -66579 900000 -96310 649 -2774 -71715 -12665 -55965 -19711 900000 277417 -60282 -15716 89393 30704 -15041 108519 -23923 13207 11406 58392 11472 48790 -8652 8581 -3465 -6182 36850 -4058 13502 -6238 32866 16672 25873 22528 24900 2282 19517 13994 19080 12778 15104 8951 13534 3795 1903 8465 5527 6182 2721 930 -2175 -3094 -8425 -3189 -2203 -228 -4953 953 38 -2813 3408 1085 2574 3114 2870 3024 1377 -1614 1431 312 -2010 -3112 -3375 -3198 -104 1647 -1844 -1743 -912 -502 -4753 -1762 -3447 424 581 -82 -810 862 -161 504 -135 -892 1583 54 381 140 603 887 92 1267 -187 -1145 1751 1189 955 145 625 -121 210 527 5 -804 78 -256 -605 600 -193 -627 900000 900000 -2932 900000 -4191 -1 -2931 -1673 -1839 900000 -3921 -1455 -1743 -26 -2599 900000 900000 900000 -531 635 900000 -1857 -3574 -1164 900000 -2526 9 -38 -1433 -174 -1328 -394 900000 3811 -2108 -353 1228 633 -599 1491 -1380 562 517 1684 536 1608 -523 460 -224 -450 1974 -368 1131 -694 2618 1626 2346 2073 2155 244 1850 1576 2359 1896 2282 1426 2101 693 403 1919 1397 1588 699 225 -487 -633 -1771 -683 -551 -67 -1803 373 16 -1325 1615 557 1358 1660 1510 1508 653 -754 653 158 -1212 -2240 -2851 -3070 -103 1552 -1652 -1393 -682 -389 -4119 -1566 -3343 434 671 -109 -1198 1309 -247 739 -191 -1256 2250 83 610 226 936 1314 134 1751 -254 -1522 2297 1754 1633 282 1206 -252 465 1247 12 -2120 206 -687 -1585 1460 -441 -1369 SS 20231019T123039.8Z 8692.521294 62 1 45.97 2 80.72 111.75 135.02 91.18 0.00 1 0.00 1 0 17 4.696e-01 8.249e-03 2.975e-01 5.679e-03 6.617664e-01 3.124328e-03 7.462914e-03 -6.000000e+00 2.705713e-01 225.53 -2.00 3.49 -2.00 321.36 0.00e+00 2.407007e-03 1.583964e-03 6.446246e-04 -6.000000e+00 1.200694e-02 282.70 -2.00 20.00 -2.00 320.81 0.00e+00 5.893 0.004 302.00 328.00 3 1.6070e+00 1.0985e-02 6.7064e-02 -6.0000e+00 6.6877e-01 9.4565e-02 1.5486e-02 3.6922e-02 -6.0000e+00 7.2557e-01 -1.2702e-01 1.6002e-02 1.9662e-02 -6.0000e+00 4.3289e-01 3.9405e-02 7.5235e-03 7.3929e-03 -6.0000e+00 1.8595e-01 1.8908e-04 -3.0055e-04 1.6699e-04 8.5350e-05 -6.0000e+00 1.3072e-02 5.9565e-03 2.5088e-05 11 8 0 10 0 0 -5.56 19.07 0.56 0.00596 0.00370 86 26 1 5 0 534.480 22.50 15.00 19.07 14.21 27.2 908.69 25113 -108882 -75854 -192804 -111030 -195823 -153107 -168589 -96045 -147006 -135380 -139648 -119146 -79886 -92030 2731 -60623 82381 -75087 47800 -6786 -5752 -52285 -16543 -26750 -31458 -52062 -34890 -39471 -37827 -29053 -20328 94083 -259 -13831 -16804 29026 -5678 2411 5760 -8617 -2111 2934 1106 5089 -419 3042 -5685 -66 2735 3107 1612 893 3029 6634 6765 3226 5486 3729 1068 1329 4305 4531 4964 2188 711 1947 -297 2454 1002 3071 1162 2487 -339 1030 -2801 -3257 -3619 -859 -2064 -2070 -1517 -1673 -914 -316 970 1238 2093 1126 2140 -147 575 -379 -643 -1362 -1138 -721 -574 197 8 -357 -1194 -60 -215 -1452 -1801 -826 -170 736 -169 484 530 417 -467 -32 160 20 21 -225 -328 54 619 170 532 -137 -737 768 752 941 236 121 184 36 164 -221 -333 58 -64 -35 110 6 -550 139 -603 -420 -2135 -615 -2070 -1156 -1697 -532 -1480 -1295 -1617 -1439 -844 -1390 19 -915 456 -1587 313 -79 -67 -1026 -250 -485 -633 -1441 -792 -940 -984 -836 -642 1094 -8 -482 -614 755 -252 121 335 -649 -160 223 88 394 -35 254 -541 -6 276 351 207 127 459 1028 1094 554 911 613 180 235 830 996 1209 564 182 496 -82 743 352 1148 455 935 -122 332 -850 -956 -1124 -301 -870 -1015 -837 -1001 -578 -213 686 912 1555 833 1487 -97 358 -236 -431 -1054 -1023 -747 -608 217 9 -353 -1181 -56 -210 -1540 -2020 -979 -197 944 -246 759 856 664 -716 -46 227 30 33 -370 -547 87 957 255 768 -191 -1002 1035 1116 1584 445 247 397 83 368 -529 -826 146 -162 -86 281 14 -1268 SS 20231019T124120.0Z 8692.528703 67 1 46.12 2 78.85 113.63 133.09 92.79 0.00 1 0.00 1 0 25 2.706e-01 6.267e-03 1.874e-01 4.406e-03 5.771519e-01 2.369176e-03 6.613134e-03 -6.000000e+00 1.559188e-01 225.53 -2.00 3.49 -2.00 320.87 0.00e+00 1.687541e-03 1.035357e-03 8.532751e-04 -6.000000e+00 6.919206e-03 282.69 -2.00 20.00 -2.00 320.29 0.00e+00 4.990 0.002 302.00 328.00 3 2.1192e+00 7.7166e-03 5.7151e-02 -6.0000e+00 3.8538e-01 4.0602e-02 1.0221e-02 3.1866e-02 -6.0000e+00 4.1812e-01 -5.1339e-02 1.0004e-02 1.5977e-02 -6.0000e+00 2.4946e-01 9.3114e-03 4.8733e-03 5.7187e-03 -6.0000e+00 1.0715e-01 2.8236e-04 -2.9980e-04 1.3087e-04 6.2195e-05 -6.0000e+00 7.5330e-03 6.3929e-03 3.4385e-05 10 0 0 10 0 0 66.12 19.13 0.40 0.00639 0.00414 103 32 1 5 0 447.700 22.50 15.00 19.13 15.37 27.2 915.51 -37592 -69271 -73881 -117284 -95191 -105042 -75959 -87039 -74236 -78037 -90254 -70880 -75667 -31705 -53826 561 -21220 -9293 -19736 -361 -9784 -10616 -30631 -966 -13688 -22608 -14796 -21962 -15204 -13521 -15796 -8914 29742 -796 -13905 -9945 2601 -2664 -2630 -1569 -5665 -2704 1610 3422 593 1336 68 48 -3030 -354 2218 1285 463 614 4499 3643 1528 3397 1639 1859 2074 2153 4023 2395 1645 456 476 -506 474 429 1281 626 1537 -42 -308 -1065 -1813 -2160 -1520 -891 -1499 -883 -1907 -1700 -646 385 393 1181 1087 1491 462 -19 96 -352 -775 -765 242 -21 153 8 -607 -759 -18 41 -1563 -877 -913 -267 542 386 -38 563 679 64 -122 65 -130 -337 -533 -398 -167 163 508 95 -65 -525 591 635 692 434 124 116 236 184 -150 -279 123 -283 -199 221 -41 -314 -162 -433 -519 -1237 -744 -903 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