File name: Pandora187s1_PittsburghPA_20240423_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T200044.0Z 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_20240423_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: 20240423 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 20240423T112347.8Z 8879.474859 224 1 45.69 2 80.68 81.10 104.09 265.62 0.00 1 0.00 1 0 25 7.804e-01 1.501e-02 4.929e-01 1.079e-02 9.943912e-01 6.313679e-03 1.064567e-02 -6.000000e+00 4.582295e-01 229.22 -2.00 3.49 -2.00 322.14 0.00e+00 5.810370e-03 3.756564e-03 4.545379e-03 -6.000000e+00 1.992488e-02 280.19 -2.00 20.00 -2.00 321.73 0.00e+00 5.872 0.004 302.00 328.00 3 2.1620e+00 2.4831e-02 8.6263e-02 -6.0000e+00 1.1461e+00 5.7144e-01 3.9562e-02 7.4936e-02 -6.0000e+00 1.2435e+00 -7.1490e-01 4.3202e-02 3.3431e-02 -6.0000e+00 7.3579e-01 2.7107e-01 1.9204e-02 1.3657e-02 -6.0000e+00 3.1166e-01 6.6337e-05 -8.7482e-04 2.8290e-04 1.4104e-04 -6.0000e+00 2.1757e-02 -2.9911e-03 6.0506e-05 12 8 8 10 0 0 61.82 19.05 0.58 -0.00299 -0.00956 48 15 1 5 0 951.680 22.40 15.00 19.05 12.32 29.1 958.44 -202239 -45496 -37270 -304243 -280598 -262048 -257318 -109970 -225966 -243851 -155647 -137241 -146865 -155329 -216119 46346 -108194 74760 -96273 900000 155839 -65792 -171654 165871 62040 -107483 -43093 104829 -80183 -15661 -70688 -87935 900000 86920 -42425 12496 109410 3990 18434 30794 -21140 4446 60391 42387 35025 34047 8085 18525 18852 27379 19585 14870 16894 4104 32760 18658 29120 28192 29581 7537 7546 13396 21476 12176 14893 61 7760 4478 10435 7202 10741 8832 9463 183 2214 -4792 -9655 -3334 -1066 586 -5989 2213 471 -63 2079 1130 3133 2713 2508 3285 695 -741 2505 -75 -1951 -3412 -2555 -3910 11 1472 190 -1923 57 -72 -4053 -2286 -1692 -1696 0 -306 -663 1227 89 229 -766 -651 -105 -286 503 115 486 1566 311 522 230 -892 1692 1754 312 -87 774 368 341 361 118 -651 97 -292 -39 -9 -295 -727 -2128 -479 -392 -3734 -2952 -2757 -2707 -1157 -2377 -2565 -1638 -1444 -1545 -1634 -4547 488 -1138 787 -1105 900000 1640 -692 -4433 1745 653 -1748 -453 1103 -997 -165 -1217 -2271 900000 914 -852 158 1151 71 349 616 -801 140 1144 981 884 895 289 643 714 1066 948 860 1066 324 2068 1413 2022 1928 1898 587 611 1156 2011 1448 1849 9 1094 707 1767 1447 2260 1933 1971 38 401 -837 -1737 -617 -232 154 -2010 792 188 -27 923 533 1500 1319 1198 1476 300 -313 1046 -36 -1131 -2412 -2129 -3817 11 1434 171 -1554 42 -53 -3304 -1928 -1523 -1689 -1 -402 -901 1747 130 328 -1175 -984 -148 -423 769 175 700 2311 447 723 309 -1179 2218 2602 505 -163 1603 828 825 942 330 -1879 282 -848 -108 -24 -703 -1624 SS 20240423T113337.6Z 8879.481685 229 1 45.90 2 78.82 82.65 105.92 267.11 0.00 1 0.00 1 0 17 7.112e-01 1.271e-02 4.159e-01 8.886e-03 8.596441e-01 5.164254e-03 9.456486e-03 -6.000000e+00 4.199320e-01 229.22 -2.00 3.49 -2.00 321.68 0.00e+00 2.150793e-03 2.804998e-03 2.748321e-03 -6.000000e+00 1.890368e-02 280.19 -2.00 20.00 -2.00 321.23 0.00e+00 4.981 0.002 302.00 328.00 3 3.0576e+00 1.9041e-02 7.0049e-02 -6.0000e+00 1.0512e+00 2.1810e-01 2.9083e-02 5.4296e-02 -6.0000e+00 1.1413e+00 -2.8424e-01 3.2120e-02 2.6876e-02 -6.0000e+00 6.7697e-01 1.0359e-01 1.4654e-02 9.8149e-03 -6.0000e+00 2.8894e-01 7.5253e-05 -8.4874e-04 2.4500e-04 1.0871e-04 -6.0000e+00 1.9930e-02 -2.8321e-03 4.2861e-06 12 8 8 10 0 0 92.88 19.05 0.52 -0.00283 -0.00921 34 10 1 5 0 1349.750 22.40 15.00 19.05 13.04 29.3 963.72 -186494 900000 900000 -158939 -298409 -97210 -302163 -235729 -255978 -270814 -152339 -175248 900000 -161161 -134103 -147887 900000 70323 10420 85491 900000 -105911 -166178 7977 30258 -77926 3219 -17069 -93123 -2364 -19733 -13546 900000 85277 -51097 -19786 53862 -25567 -19959 58222 -5679 11660 18963 8329 13585 7989 10490 -3762 8307 3402 11180 -1432 7639 -5407 22602 9908 13382 14206 15539 4918 -90 4236 13634 5803 8427 1474 977 2296 -59 7154 3083 3682 889 410 1005 -2100 -6383 -1829 -1686 -1788 -1489 545 -571 -2677 1401 827 1522 1542 3917 2769 1790 205 1727 -455 -1674 -1830 -1019 -2629 -345 591 -179 -824 -326 -832 -2744 -2209 -2262 -739 235 -444 299 640 372 -438 -307 -617 453 -35 119 -68 537 1121 477 490 -964 -452 1648 1451 452 663 307 381 40 233 -148 -384 192 -208 -207 43 26 -905 -1614 900000 900000 -1375 -2980 -841 -3420 -2040 -2584 -3515 -1318 -1517 900000 -1627 -1354 -2133 900000 609 90 740 900000 -1604 -4914 69 262 -1236 28 -148 -1746 -22 -279 -224 900000 738 -1400 -436 636 -805 -738 1191 -250 468 746 374 588 377 503 -222 471 225 783 -130 703 -625 2116 1107 1485 1542 1601 553 -11 563 1920 1009 1512 284 194 484 -15 1880 919 1121 269 115 251 -489 -1506 -443 -482 -619 -608 250 -290 -1479 793 497 945 971 2367 1606 979 109 909 -268 -1165 -1511 -898 -2691 -368 609 -170 -700 -278 -733 -2627 -2215 -2222 -783 279 -608 453 1015 592 -682 -457 -903 674 -56 195 -112 842 1657 684 676 -1303 -588 2117 2080 760 1264 597 792 88 554 -378 -1011 510 -554 -536 105 58 -1920 SS 20240423T114408.1Z 8879.488983 235 1 17.28 2 76.84 84.30 107.88 268.72 0.00 1 0.00 1 0 17 4.537e-01 1.027e-02 3.858e-01 1.007e-02 7.428891e-01 5.581260e-03 8.445822e-03 -6.000000e+00 2.652479e-01 229.22 -2.00 3.49 -2.00 321.22 0.00e+00 4.087564e-03 2.683360e-03 3.265251e-03 -6.000000e+00 1.153618e-02 280.19 -2.00 20.00 -2.00 320.73 0.00e+00 4.281 0.001 302.00 328.00 3 3.2957e+00 1.8791e-02 6.1460e-02 -6.0000e+00 6.6186e-01 1.4480e-01 2.6500e-02 4.9375e-02 -6.0000e+00 7.1644e-01 -1.9226e-01 2.7954e-02 2.1324e-02 -6.0000e+00 4.2547e-01 7.0515e-02 1.3233e-02 1.0314e-02 -6.0000e+00 1.8238e-01 1.2727e-04 -7.3554e-04 2.7580e-04 8.4159e-05 -6.0000e+00 1.2724e-02 -3.5294e-03 -2.9523e-06 12 9 9 12 1 1 39.37 19.05 0.48 -0.00353 -0.00906 11 10 1 5 0 1439.580 22.40 15.00 19.05 13.41 29.4 965.81 900000 -13298 -95771 -200099 -183774 -83979 -145750 -165648 -208226 -43613 -59211 -62091 -127184 -22888 -97214 -59630 -62528 64478 -73286 -19106 -28472 -22369 -89309 -54529 -822 -33848 -46654 -16490 -15795 -29332 -45397 -58315 126062 -13023 -23144 -11179 9851 -20709 -1668 13055 -2581 -4307 11398 2619 6726 3238 6600 6545 -2696 6159 1200 4840 3428 -480 5425 3070 9372 4193 6426 855 4093 2631 10043 2749 7443 -2399 1010 1988 -685 4586 2700 489 450 3154 1680 -2134 -5367 -488 199 -548 -2312 -1203 -1337 -1665 -1360 -5 1461 1248 1699 3149 -91 -226 1746 -505 -1211 -1703 -184 -887 120 439 204 -1636 995 -401 -1760 -522 -1709 -163 293 -882 -157 202 314 -170 120 -1 -85 -34 -330 -388 219 229 422 173 396 -267 930 1182 1187 673 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