File name: Pandora187s1_PittsburghPA_20250424_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20250425T052334.3Z 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 v1.8.75 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20250424_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: 20250424 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 20250424T112358.2Z 9245.474979 105 1 46.36 2 80.46 80.96 62.87 126.63 0.00 1 0.00 1 0 25 4.646e-01 4.855e-02 3.997e-01 1.271e-02 8.163655e-01 7.388553e-03 9.903845e-03 -6.000000e+00 2.783437e-01 229.22 -2.00 3.49 -2.00 321.70 0.00e+00 1.832583e-02 3.947972e-03 1.506593e-02 -6.000000e+00 1.214528e-02 280.19 -2.00 20.00 -2.00 321.22 0.00e+00 5.752 0.003 302.00 328.00 3 2.6467e+00 2.6746e-02 1.2170e-01 -6.0000e+00 7.0039e-01 8.5018e-01 3.7796e-02 1.4260e-01 -6.0000e+00 7.6306e-01 -8.5742e-01 3.9047e-02 2.8482e-02 -6.0000e+00 4.4762e-01 2.7940e-01 1.8088e-02 2.9506e-02 -6.0000e+00 1.8791e-01 4.7239e-05 6.5926e-04 3.5798e-04 1.2499e-04 -6.0000e+00 1.3131e-02 -1.1187e-02 1.1483e-04 12 8 8 10 0 0 51.93 19.07 0.48 -0.01119 -0.00623 30 9 1 5 0 1545.000 22.50 15.00 19.07 19.32 31.7 1008.44 -11024 900000 -82006 -68794 -163875 40137 -74220 -115777 900000 -21295 -151849 -31199 -85503 -12430 -73183 121205 119491 900000 26175 92727 900000 -15651 -49798 63752 13744 -58955 -27320 25198 13253 -3572 -4034 1646 900000 900000 21687 87535 214201 47586 40481 101193 16611 37319 60148 87612 58272 43587 57060 38722 43317 38888 80232 36207 50574 39136 52110 44035 36752 35615 41463 17996 26944 35290 44428 25155 34187 17496 30096 14587 -77204 22605 16747 15876 12221 10633 5600 4453 -930 5618 -30023 8615 1331 12250 7115 3014 8560 4661 -8208 7213 7907 6847 4149 3208 5149 4601 131 1861 465 -1261 1657 3553 1146 -239 972 972 -3164 -3534 -2662 -941 1648 262 -40 171 -936 -1753 -1412 -1319 709 -336 -35 -161 -1564 -642 -510 -359 -1402 -1892 1169 1786 1531 687 839 1345 466 691 546 -501 -52 -376 -481 -365 -59 -246 -136 900000 -1142 -852 -4312 497 -919 -1613 900000 -264 -3055 -386 -1390 -154 -1926 1501 1480 900000 454 1148 900000 -388 -1685 789 238 -2093 -699 374 230 -86 -123 58 900000 900000 716 1445 2652 1414 1504 2506 974 1879 2532 3099 2646 2375 2826 2429 2753 2793 4541 3288 4300 3974 5116 4712 4193 3969 4181 2276 3288 4463 5933 4605 5987 3575 5457 3238 -44610 5838 4917 4760 3632 2934 1446 1044 -222 1347 -12135 2857 557 5211 3442 1599 4550 2708 -5626 4293 4594 3809 2202 1626 2546 2486 86 1430 398 -1257 1708 3508 1059 -212 788 807 -2919 -3444 -2750 -976 1881 346 -59 262 -1450 -2640 -2028 -1863 1014 -512 -55 -259 -2453 -949 -725 -491 -1875 -2462 1490 2520 2515 1291 1730 2952 1029 1633 1375 -1317 -137 -1008 -1255 -894 -142 -563 SS 20250424T113309.2Z 9245.481357 110 1 46.08 2 78.73 82.40 61.49 128.60 0.00 1 0.00 1 0 25 5.535e-01 1.163e-02 3.726e-01 7.684e-03 7.127214e-01 4.311300e-03 7.989496e-03 -6.000000e+00 3.249335e-01 229.22 -2.00 3.49 -2.00 321.34 0.00e+00 3.119841e-03 2.123943e-03 1.600771e-03 -6.000000e+00 1.415634e-02 280.19 -2.00 20.00 -2.00 320.84 0.00e+00 4.943 0.002 302.00 328.00 3 2.9888e+00 1.4864e-02 6.2695e-02 -6.0000e+00 8.1202e-01 8.8406e-02 2.1182e-02 4.2368e-02 -6.0000e+00 8.7984e-01 -1.2441e-01 2.2574e-02 2.1173e-02 -6.0000e+00 5.2149e-01 3.7759e-02 1.0610e-02 8.3262e-03 -6.0000e+00 2.2281e-01 1.0166e-04 -4.7256e-04 2.2079e-04 8.6748e-05 -6.0000e+00 1.5429e-02 -1.0786e-02 4.8571e-05 12 8 8 10 0 0 78.61 19.07 0.46 -0.01079 -0.01434 42 13 1 5 0 1096.950 22.50 15.00 19.07 19.79 31.9 1011.84 -190224 900000 -149805 -219472 -157393 -239605 -198881 -177922 -136023 -67525 -38290 -115455 -38780 -109305 -70640 -16475 -71335 170794 -76378 35953 97948 -44643 -113017 11022 -30318 -57103 -37461 -43032 -53182 -25143 -48429 -36200 900000 63869 -30601 -28182 45983 -3378 -3452 7474 -13456 -1322 11049 18860 12542 -229 13236 -9175 -5539 1458 6644 1153 8 3135 11001 8383 4076 6642 6628 1790 -544 6085 5113 2530 5585 -669 189 191 22504 1568 1873 1070 534 -581 982 -3327 -2854 -3341 -2973 -1643 -4018 -135 -327 -1092 856 407 -5168 1732 1508 3285 883 805 2433 1950 -1288 -1197 -887 -1273 23 941 -81 -595 -179 23 -1586 -2111 -841 -725 352 364 -136 528 191 -60 220 66 56 -78 -456 -120 -612 801 85 933 -324 -392 655 1557 218 814 309 471 7 300 -376 -438 150 -347 -258 1 -11 -186 -1425 900000 -1122 -2391 -1179 -2936 -1760 -1454 -1019 -506 -287 -865 -290 -1191 -673 -123 -971 1279 -1352 269 734 -638 -3386 116 -522 -1369 -757 -902 -1235 -490 -1451 -1166 900000 957 -1146 -1034 895 -129 -163 381 -957 -90 703 1144 827 -18 922 -838 -519 139 677 140 1 451 1557 1274 666 1050 1018 286 -93 1085 1057 604 1355 -170 48 51 5410 534 696 414 203 -209 315 -1004 -819 -1008 -1031 -672 -1971 -73 -192 -687 565 286 -4025 1284 1108 2259 579 499 1462 1257 -982 -1065 -914 -1361 26 1024 -83 -597 -168 22 -1664 -2346 -981 -832 445 519 -214 860 309 -94 324 95 84 -122 -754 -200 -1002 1237 127 1337 -453 -528 871 2241 364 1511 627 1014 15 672 -903 -1089 378 -886 -643 2 -27 -425 SS 20250424T113954.2Z 9245.486044 113 1 46.26 2 77.46 83.46 60.49 130.09 0.00 1 0.00 1 0 17 3.955e-01 1.436e-02 2.653e-01 5.997e-03 6.482784e-01 3.250674e-03 7.270384e-03 -6.000000e+00 2.314243e-01 229.22 -2.00 3.49 -2.00 321.03 0.00e+00 3.823095e-03 1.453350e-03 2.076034e-03 -6.000000e+00 1.001101e-02 280.19 -2.00 20.00 -2.00 320.50 0.00e+00 4.477 0.002 302.00 328.00 3 3.1457e+00 1.0558e-02 5.7263e-02 -6.0000e+00 5.7750e-01 1.0932e-01 1.4383e-02 4.0032e-02 -6.0000e+00 6.2468e-01 -1.2090e-01 1.4826e-02 1.8550e-02 -6.0000e+00 3.7106e-01 3.0156e-02 7.1659e-03 8.7085e-03 -6.0000e+00 1.5821e-01 1.4019e-04 -1.0382e-04 1.7132e-04 7.2087e-05 -6.0000e+00 1.1020e-02 -1.0712e-02 9.6775e-06 12 8 8 10 0 0 86.49 19.07 0.12 -0.01071 -0.01149 42 13 1 5 0 1101.210 22.50 14.99 19.07 19.97 31.8 1012.95 -29459 -72715 -80645 -134651 -137960 -148814 -122397 -162537 -129674 -132101 -129893 -25157 -82146 -3808 -71619 11833 -46763 35699 -29779 10949 23879 -31618 -66666 -35336 -26379 -29316 -22335 -37479 -10677 -28625 -25653 -16391 116773 34728 -2227 -8580 16878 -3275 -1460 5511 -6945 750 1514 9159 3237 -2190 2107 2448 -312 8016 7939 3142 3126 6566 9253 6769 4483 5874 8105 -1684 3194 5858 9988 2549 6144 1936 5282 405 -24584 3667 3383 2451 2223 1279 -890 -1305 -4502 -609 -12769 -532 -2002 409 -1886 -334 743 983 -2586 2194 2308 1696 1458 387 860 1533 -212 -637 304 -986 422 49 287 -837 557 59 -1051 -1107 -796 -423 695 413 -41 315 181 -437 7 9 -84 258 -36 -386 -640 333 -203 28 -339 -1045 457 1002 884 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