File name: Pandora187s1_PittsburghPA_20241221_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241222T052750.2Z 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_20241221_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: 20241221 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 20241221T140550.3Z 9121.587387 313 1 45.96 2 77.99 135.72 59.90 251.09 0.00 1 0.00 1 0 25 4.687e-01 9.408e-03 3.431e-01 7.965e-03 6.840457e-01 4.299595e-03 7.820124e-03 -6.000000e+00 2.678181e-01 222.96 -2.00 3.49 -2.00 321.26 0.00e+00 1.900486e-03 2.022061e-03 1.933014e-03 -6.000000e+00 1.222976e-02 275.59 -2.00 20.00 -2.00 320.82 0.00e+00 4.663 0.002 302.00 328.00 3 3.0401e+00 1.4251e-02 5.8427e-02 -6.0000e+00 6.5992e-01 8.5309e-02 2.0354e-02 3.9287e-02 -6.0000e+00 7.1777e-01 -1.1114e-01 2.2355e-02 2.0294e-02 -6.0000e+00 4.2709e-01 3.6384e-02 1.0690e-02 6.4433e-03 -6.0000e+00 1.8417e-01 1.3133e-04 -1.3553e-03 2.2826e-04 8.4755e-05 -6.0000e+00 1.3138e-02 -1.1436e-02 -6.5958e-05 12 8 8 10 0 0 99.90 18.65 0.29 -0.01144 -0.02162 99 30 1 5 0 464.170 21.98 14.99 18.65 3.21 29.9 883.96 -181635 -76097 -125613 -195724 -170889 -172470 -156390 -203859 49312 -128021 900000 -107984 34117 -71698 -76120 -34024 -37455 -26344 -36714 -50630 -8954 -18297 -89053 6896 -23291 -33391 -52592 -23806 -37269 10853 -39978 -2237 87962 18112 -31269 -7811 -5365 -1761 -2821 -1148 -3119 -4649 13684 4054 13826 -2064 11677 -4278 5738 -3069 6546 1379 2364 3654 5836 -1266 2657 8381 7367 5950 -257 6813 7004 5769 1697 1552 1093 514 -243 1434 2643 1648 1167 -1152 1585 -2766 683 -2541 3681 -1918 -1589 -1522 -1606 -2155 411 -323 -4070 528 1332 1950 -163 1083 291 1162 -892 -397 -638 483 -186 195 -139 -707 -317 -566 -1571 -1290 -739 -1264 759 -11 458 669 963 62 614 -463 -167 74 -1 -548 -807 320 -22 617 -111 -173 632 1539 319 267 415 632 -227 244 -527 -392 -163 -306 -10 288 130 -265 -1410 -591 -975 -2280 -1438 -1451 -1214 -2902 383 -1077 900000 -908 265 -696 -985 -352 -460 -324 -546 -917 -110 -271 -2593 92 -460 -778 -1522 -504 -894 176 -1298 -60 1118 499 -1368 -270 -201 -76 -151 -73 -229 -374 966 323 1015 -182 923 -414 531 -336 730 182 340 567 943 -230 476 1408 1212 979 -47 1284 1508 1413 453 407 289 143 -76 507 1009 657 457 -432 524 -859 195 -778 1213 -796 -768 -837 -962 -1378 274 -230 -3143 397 982 1360 -108 668 178 747 -666 -343 -641 543 -224 230 -151 -693 -289 -531 -1597 -1377 -833 -1548 1011 -17 691 1048 1626 101 942 -699 -256 119 -2 -952 -1371 515 -34 919 -160 -241 866 2271 543 466 785 1263 -482 551 -1275 -982 -414 -785 -26 679 288 -557 SS 20241221T141243.3Z 9121.592168 316 1 45.82 2 77.09 137.05 61.13 252.39 0.00 1 0.00 1 0 25 5.313e-01 3.187e-02 3.810e-01 2.148e-02 6.208897e-01 1.166190e-02 7.308326e-03 -6.000000e+00 3.080110e-01 222.96 -2.00 3.49 -2.00 320.87 0.00e+00 1.059165e-02 4.775319e-03 4.677097e-04 -6.000000e+00 1.423634e-02 275.59 -2.00 20.00 -2.00 320.40 0.00e+00 4.360 0.001 302.00 328.00 3 5.1387e+00 3.6166e-02 5.3473e-02 -6.0000e+00 7.6238e-01 3.2764e-01 4.5511e-02 3.4775e-02 -6.0000e+00 8.3199e-01 -3.6570e-01 4.2413e-02 1.8460e-02 -6.0000e+00 4.8956e-01 1.6244e-01 2.1161e-02 1.1433e-02 -6.0000e+00 2.0976e-01 2.0282e-05 -1.5942e-03 6.3004e-04 1.2302e-04 -6.0000e+00 1.5014e-02 -8.9593e-03 1.2969e-05 12 9 8 11 8 0 99.97 18.63 -0.35 -0.00896 -0.02094 14 4 1 5 0 3272.650 21.98 15.01 18.63 3.38 29.9 885.40 161182 177600 900000 71770 -190624 93910 900000 -161141 900000 -139828 -60344 900000 19238 -42581 -48730 -5622 295456 84878 -21864 75154 900000 -61246 -110866 95561 -314 -27084 -38418 207487 39885 26726 -32038 -29764 900000 110070 -17392 29859 31068 -4004 2625 3923 -5840 2655 43905 27785 42032 -4717 34775 5945 7730 2023 41158 3653 7686 10097 37802 -3527 15787 14644 20404 3313 -3871 20333 29196 11015 17492 -8509 1153 4383 -2279 829 8967 3478 2403 -5149 -5414 -3112 -10522 -13598 -1124 -6049 -11792 -20 -4356 -7056 2070 -3632 4741 1409 3428 4219 -390 5618 3993 5621 -3091 -3608 -2315 -2519 927 2974 569 -3783 651 -352 -5350 -3046 -4499 -2075 3193 149 1166 2276 -533 578 166 -1655 532 1478 1308 958 -2203 1900 -1947 1521 -1942 9 3019 4719 730 2003 -334 1145 984 443 -906 -2405 413 -1281 650 -813 1214 -778 3372 3716 900000 1502 -9223 1965 900000 -5690 900000 -4388 -1263 900000 403 -1010 -1563 -141 6182 1776 -854 1572 900000 -3588 -10670 1999 -11 -1209 -1929 4341 954 799 -1922 -2076 900000 2467 -1237 1383 1532 -302 220 378 -684 304 3491 2674 3576 -658 3347 788 1046 308 4982 662 1447 1986 6271 -841 3127 3086 3934 753 -989 4528 6763 3408 5254 -3003 389 1474 -902 362 3913 1648 1121 -2416 -2306 -1163 -3994 -5487 -455 -3046 -7296 -13 -2844 -4990 1525 -2802 3762 1179 2781 3235 -290 3678 2572 3738 -2536 -3451 -2357 -2909 1098 3372 610 -4065 625 -351 -6005 -3514 -5581 -2520 4058 217 1834 3657 -867 884 240 -2364 760 2198 2058 1544 -3586 2848 -2924 2269 -2876 12 4033 6679 1133 3405 -628 2225 2007 963 -2117 -5892 1000 -3169 1543 -1853 2540 -1572 SS 20241221T155659.0Z 9121.664571 372 1 30.70 2 66.64 159.69 80.50 269.77 0.00 1 0.00 1 0 17 3.384e-02 6.740e-03 3.232e-02 3.662e-03 3.813800e-01 1.853943e-03 4.579159e-03 -6.000000e+00 1.934150e-02 222.97 -2.00 3.49 -2.00 318.80 0.00e+00 3.627951e-04 4.112798e-04 2.251030e-04 -6.000000e+00 8.403631e-04 275.59 -2.00 20.00 -2.00 318.24 0.00e+00 2.504 0.000 302.00 328.00 3 4.4486e+00 5.0201e-03 3.0980e-02 -6.0000e+00 4.7652e-02 9.9584e-03 5.7658e-03 1.9391e-02 -6.0000e+00 5.1810e-02 8.9136e-03 4.2542e-03 9.7934e-03 -6.0000e+00 3.0840e-02 -1.1296e-02 2.2715e-03 2.9257e-03 -6.0000e+00 1.3274e-02 3.3633e-04 -1.7689e-04 1.0782e-04 3.2913e-05 -6.0000e+00 9.4116e-04 -1.3320e-02 -2.6387e-05 12 9 1 12 1 1 99.85 18.62 0.28 -0.01332 -0.01465 18 9 1 5 0 1615.130 21.98 14.99 18.62 2.46 29.8 879.31 -1850 3320 -14683 -7870 -16420 -10178 -9468 -10259 -10292 -9782 -11915 -6721 -4432 -1716 -3858 -811 -1303 2184 -845 17 3846 -2748 -4409 1314 548 -3885 -231 109 -2381 -1105 -1681 -553 7334 907 -5899 -3011 -1500 -2656 -819 -1139 -2342 -1148 296 943 597 9 373 -987 -972 -416 1704 -207 843 567 1393 890 1821 833 835 815 768 2462 2431 1823 573 -1144 -166 -460 45 533 -59 453 261 941 381 -24 -1087 -1090 -255 -917 -963 -1536 -1930 -1838 -627 -329 -1084 834 569 1011 838 189 445 323 193 -40 269 511 127 196 -894 -831 201 -268 -1222 -1019 -1064 -257 452 320 113 328 412 105 219 -102 -279 -173 52 -353 -525 147 156 275 177 -716 1043 1304 715 748 289 493 385 251 -27 -588 1 -349 -225 -110 -104 -524 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