File name: Pandora187s1_PittsburghPA_20240722_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T204039.7Z 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_20240722_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: 20240722 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 20240722T111601.7Z 8969.469464 213 1 47.15 2 78.99 72.87 91.37 242.90 0.00 1 0.00 1 0 25 5.597e-01 2.599e-02 3.747e-01 1.518e-02 6.659760e-01 8.831397e-03 7.589797e-03 -6.000000e+00 3.445467e-01 232.42 -2.00 3.49 -2.00 321.28 0.00e+00 1.907736e-03 4.418443e-03 9.036804e-04 -6.000000e+00 1.807203e-02 288.73 -2.00 20.00 -2.00 320.68 0.00e+00 5.047 0.002 302.00 328.00 3 4.1069e+00 3.1111e-02 6.1231e-02 -6.0000e+00 8.6737e-01 1.7655e-01 4.2781e-02 3.7551e-02 -6.0000e+00 9.4214e-01 -1.9779e-01 4.1211e-02 1.8482e-02 -6.0000e+00 5.4776e-01 7.4826e-02 1.9464e-02 6.5948e-03 -6.0000e+00 2.3728e-01 3.0354e-05 -1.3275e-03 4.5813e-04 6.8285e-05 -6.0000e+00 1.6557e-02 -3.9334e-03 -9.7471e-06 12 8 8 10 0 0 98.65 18.86 0.57 -0.00393 -0.01391 16 5 1 5 0 2946.250 22.29 15.00 18.86 27.49 30.6 972.13 900000 900000 900000 900000 -243937 900000 900000 900000 900000 -186629 54003 900000 -61129 114037 -50329 -69977 -103136 900000 -49041 900000 900000 -109943 -124227 139351 900000 -74977 183242 128999 68725 77195 58016 -36851 -70911 214276 -39890 141487 165477 8908 -9321 98540 -20787 14657 24009 55022 39118 41262 60665 -1917 10820 3349 48805 2696 2883 8479 46420 8511 28480 2343 31741 -10694 10481 16446 11536 -5103 16672 -1199 531 7569 -4035 3554 4503 9219 -56 2180 -1768 -145 -12510 -1591 -4264 38 -6232 1103 567 665 284 -416 -15859 3006 7191 5757 3157 1752 6555 2817 -1950 -1993 -1392 -4929 531 2427 1020 -787 928 -573 -3526 -904 -3082 -202 1912 151 -778 3091 -311 643 -1286 -1161 -166 559 1600 141 -520 1205 -776 -393 -1243 -1188 2620 2755 775 497 261 -17 -182 789 596 -1057 326 -310 -1190 140 -442 394 900000 900000 900000 900000 -5626 900000 900000 900000 900000 -3857 797 900000 -902 1683 -743 -1308 -3045 900000 -1014 900000 900000 -4544 -6235 2057 900000 -2878 2705 1904 1015 1140 856 -1554 -4536 3163 -2061 2089 2443 376 -580 2494 -1951 1035 1620 2785 2351 2480 3070 -188 981 353 3654 358 420 1270 5041 1409 3964 420 4117 -2097 1735 2844 2384 -1388 3779 -317 138 1915 -1285 1203 1648 3325 -22 772 -591 -43 -3983 -471 -1484 15 -3056 570 320 398 183 -287 -13344 2136 4845 3745 1961 1038 3622 1714 -1414 -1679 -1347 -5592 604 2647 1041 -736 804 -522 -3550 -934 -3457 -238 2437 205 -1162 4597 -472 990 -1911 -1680 -244 802 2403 220 -795 1862 -1181 -573 -1757 -1613 3403 3881 1178 844 482 -32 -376 1720 1386 -2427 801 -773 -2931 323 -960 808 SS 20240722T114906.0Z 8969.492431 228 1 8.46 2 72.91 77.84 96.79 248.01 0.00 1 0.00 1 0 25 1.552e-01 1.040e-02 2.357e-01 1.336e-02 4.592071e-01 7.072354e-03 5.352647e-03 -6.000000e+00 9.188811e-02 232.42 -2.00 3.49 -2.00 319.72 0.00e+00 -1.952378e-04 2.130048e-03 5.561305e-04 -6.000000e+00 4.072481e-03 288.73 -2.00 20.00 -2.00 318.96 0.00e+00 3.352 0.001 302.00 328.00 3 4.3274e+00 2.0527e-02 4.0873e-02 -6.0000e+00 2.3042e-01 1.4210e-02 2.4594e-02 2.4678e-02 -6.0000e+00 2.4832e-01 -3.1194e-02 1.9578e-02 1.1998e-02 -6.0000e+00 1.4788e-01 1.2341e-02 1.0142e-02 3.3734e-03 -6.0000e+00 6.3098e-02 1.5484e-04 -8.7522e-05 3.9254e-04 3.7231e-05 -6.0000e+00 4.3315e-03 -6.2520e-03 -4.3674e-06 12 9 9 12 1 1 999.00 18.86 0.23 -0.00625 -0.00691 2 5 1 5 0 2816.420 22.29 15.00 18.86 28.76 30.4 980.01 18195 40827 46430 -44851 -69518 -21574 -63386 -30559 -26241 -67904 -30185 31169 -29608 -10635 12756 -20322 -4211 -601 -15718 -1467 62568 84 -27854 19823 -16774 -3489 -12922 11129 -10363 4918 5029 -11692 26558 8449 1945 -3215 6653 2030 1687 2047 -4619 -3586 3007 -1407 -90 -693 5161 -3733 3229 -2919 5192 -738 -444 1506 -1814 2918 5964 584 5240 -750 436 2190 2721 1059 1211 718 -1390 42 -440 1106 -636 61 305 1657 -517 -867 901 -1793 1193 -1007 -1430 -754 -2370 -1872 -2674 -100 1042 1616 709 552 779 1392 389 -88 -1112 -684 421 -431 45 274 -695 -677 -77 -903 -1213 -869 -1372 98 711 222 166 1102 269 234 -113 -491 151 -1154 181 -167 -729 992 -677 513 80 -524 630 552 1615 926 216 163 633 210 408 -620 421 -909 319 -721 -326 -343 237 532 605 -1001 -1811 -341 -1651 -654 -610 -2590 -814 531 -1019 -366 415 -1059 -204 -30 -980 -90 2069 5 -2400 1152 -1513 -290 -1191 769 -851 360 413 -1289 2235 889 208 -364 760 289 294 420 -1044 -851 747 -371 -24 -184 1293 -1028 844 -851 1524 -234 -152 541 -705 1121 2275 234 1955 -296 177 958 1314 563 646 365 -698 21 -248 698 -444 44 215 1088 -317 -481 458 -941 673 -673 -1095 -596 -2044 -1702 -2633 -103 1104 1739 762 565 734 1208 349 -76 -1076 -748 483 -554 60 354 -840 -796 -87 -1077 -1463 -1099 -1840 138 1074 346 275 1829 436 356 -171 -722 226 -1848 287 -274 -1194 1552 -1042 792 118 -747 873 813 2595 1532 382 298 1136 402 827 -1317 856 -1894 682 -1490 -639 -646 SS 20240722T115541.5Z 8969.497008 232 1 45.99 2 71.69 78.83 97.90 249.01 0.00 1 0.00 1 0 25 6.303e-02 6.035e-03 3.193e-02 2.032e-03 4.380975e-01 1.062292e-03 5.102462e-03 -6.000000e+00 3.730635e-02 232.42 -2.00 3.49 -2.00 319.58 0.00e+00 1.221465e-03 3.045214e-04 3.999629e-04 -6.000000e+00 1.653656e-03 288.73 -2.00 20.00 -2.00 318.79 0.00e+00 3.141 0.001 302.00 328.00 3 2.8718e+00 3.0620e-03 3.8554e-02 -6.0000e+00 9.3550e-02 8.8840e-03 3.6369e-03 2.3557e-02 -6.0000e+00 1.0083e-01 -9.8607e-03 2.8423e-03 1.1370e-02 -6.0000e+00 6.0041e-02 -4.1986e-03 1.4832e-03 3.6246e-03 -6.0000e+00 2.5613e-02 8.2503e-04 -3.3919e-04 5.9783e-05 3.5992e-05 -6.0000e+00 1.7588e-03 -5.1903e-03 -2.0031e-05 11 1 0 11 8 0 97.84 18.86 0.45 -0.00519 -0.00774 101 31 1 5 0 455.170 22.29 15.01 18.86 29.09 30.7 982.72 -9162 -10593 -11941 -24900 -26778 -26203 -21769 -22840 -14914 -19744 -18455 -17469 -12658 -8979 -7445 -7608 -7348 -997 -3762 1133 -734 -2925 -5793 -1165 -3560 -3720 -5041 -5019 -7078 -2594 -2409 -1693 4732 -1887 -4047 -3415 -2410 -2355 -1817 -1388 -1295 -805 228 -178 1053 267 1103 -814 -325 -132 928 722 900 939 1369 1468 1008 942 683 999 1097 2056 2693 2203 756 -62 -270 -198 429 469 258 464 747 671 403 52 -569 -1117 -287 -1525 -988 -1674 -2080 -1700 -525 -279 -272 709 984 1150 899 322 -150 -107 -342 -553 389 575 -151 -195 -541 -925 -28 47 -1360 -715 -719 -415 320 368 186 321 526 160 -41 47 -252 -211 -271 -449 -403 103 111 290 198 -459 716 1081 605 663 502 281 275 294 -27 -335 95 -279 -251 -27 -252 -548 -135 -181 -219 -502 -502 -477 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