File name: Pandora187s1_PittsburghPA_20220711_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20251128T083058.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 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_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20220711_L1_smca1c3d20220705p1-8.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: 20220711 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]: 305.0947 305.2360 305.3774 305.5187 305.6601 305.8014 305.9427 306.0840 306.2253 306.3666 306.5079 306.6491 306.7904 306.9316 307.0728 307.2141 307.3553 307.4965 307.6376 307.7788 307.9200 308.0611 308.2023 308.3434 308.4845 308.6256 308.7667 308.9078 309.0489 309.1899 309.3310 309.4720 309.6131 309.7541 309.8951 310.0361 310.1771 310.3181 310.4591 310.6000 310.7410 310.8819 311.0228 311.1637 311.3046 311.4455 311.5864 311.7273 311.8681 312.0090 312.1498 312.2907 312.4315 312.5723 312.7131 312.8539 312.9946 313.1354 313.2761 313.4169 313.5576 313.6983 313.8390 313.9797 314.1204 314.2611 314.4018 314.5424 314.6831 314.8237 314.9643 315.1049 315.2455 315.3861 315.5267 315.6673 315.8078 315.9484 316.0889 316.2294 316.3699 316.5104 316.6509 316.7914 316.9319 317.0723 317.2128 317.3532 317.4936 317.6340 317.7744 317.9148 318.0552 318.1956 318.3359 318.4763 318.6166 318.7569 318.8972 319.0375 319.1778 319.3181 319.4584 319.5986 319.7389 319.8791 320.0193 320.1596 320.2998 320.4400 320.5801 320.7203 320.8605 321.0006 321.1407 321.2809 321.4210 321.5611 321.7012 321.8412 321.9813 322.1214 322.2614 322.4014 322.5415 322.6815 322.8215 322.9615 323.1014 323.2414 323.3814 323.5213 323.6612 323.8012 323.9411 324.0810 324.2209 324.3607 324.5006 324.6405 324.7803 324.9201 --------------------------------------------------------------------------------------- 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 20220711T105448.9Z 8227.454732 136 1 46.34 2 81.37 68.28 127.70 267.01 0.00 1 0.00 1 0 25 5.673e-01 1.697e-02 3.936e-01 1.127e-02 7.492608e-01 6.338870e-03 8.304223e-03 -6.000000e+00 3.357832e-01 232.69 -2.00 3.49 -2.00 321.79 0.00e+00 7.380205e-03 3.703122e-03 1.401244e-03 -6.000000e+00 1.495560e-02 288.14 -2.00 20.00 -2.00 321.25 0.00e+00 6.284 0.004 302.00 328.00 3 1.6354e+00 2.4879e-02 7.4956e-02 -6.0000e+00 8.4465e-01 3.7408e-01 3.5241e-02 4.7572e-02 -6.0000e+00 9.1498e-01 -5.3367e-01 3.3440e-02 2.1384e-02 -6.0000e+00 5.4204e-01 2.1319e-01 1.5216e-02 1.1669e-02 -6.0000e+00 2.2784e-01 1.0867e-04 -1.3026e-03 3.2116e-04 1.2348e-04 -6.0000e+00 1.5870e-02 1.4811e-02 0.0000e+00 12 8 8 10 0 0 -164.35 18.81 0.76 0.01481 0.00502 44 14 1 5 0 1052.950 22.19 15.00 18.81 26.79 19.6 990.07 -156242 86476 -71037 -96663 -236271 -67247 -131049 -209261 -17308 -123098 -174945 -188194 -100331 -124786 -85634 -15867 -95953 166158 -108260 900000 174142 -21377 -127002 -18528 48277 -54741 -55692 -62793 -81568 17524 -34660 -56394 900000 96060 16768 -12796 22581 -12588 1171 37453 -967 23530 47746 71253 27206 23687 29223 7068 4327 13844 17457 -1858 7974 12260 19451 16609 13538 21493 23715 7856 13223 18240 16206 12290 14544 -1673 3263 3273 5664 6373 7340 8579 3262 2302 861 -5215 -7599 -5534 -6495 865 -4945 1213 -3525 -1262 987 499 1460 3219 2830 2711 265 443 3113 -2106 -2683 -2106 -2748 -2488 967 303 -1480 -1395 -1107 -1310 -4594 -1734 -1565 -1271 1254 272 -107 377 678 -727 12 -317 -643 156 -324 76 274 1212 787 509 -20 142 2300 649 898 681 885 646 178 312 300 -785 -71 -557 187 -74 -221 -1138 -1716 950 -780 -1061 -4757 -738 -1439 -3969 -190 -1352 -2794 -4133 -1202 -2491 -1453 -174 -2395 1825 -3566 900000 1912 -299 -5325 -277 530 -1257 -1279 -1504 -2443 227 -934 -2252 900000 1055 387 -407 570 -539 53 1357 -56 1137 1888 2269 1374 1275 1540 489 328 1049 1438 -206 876 1387 2136 1933 1635 2337 2448 958 1641 2444 2545 2213 2603 -347 659 712 1374 1735 2112 2459 942 617 210 -1237 -1827 -1428 -2011 297 -2096 543 -1780 -664 543 292 877 1919 1656 1498 140 224 1559 -1232 -1845 -1693 -2590 -2623 1020 308 -1393 -1181 -905 -1135 -4394 -1704 -1651 -1470 1599 395 -154 555 1078 -1122 17 -467 -991 254 -503 118 447 1884 1188 742 -29 195 3189 1032 1483 1257 1765 1370 405 760 775 -2104 -193 -1513 485 -182 -507 -2526 SS 20220711T110838.1Z 8227.464330 141 1 46.07 2 78.92 70.36 130.20 269.06 0.00 1 0.00 1 0 25 3.648e-01 7.564e-03 2.077e-01 4.352e-03 6.212377e-01 2.405568e-03 7.033127e-03 -6.000000e+00 2.147977e-01 232.69 -2.00 3.49 -2.00 321.14 0.00e+00 3.291759e-03 1.157111e-03 7.224984e-04 -6.000000e+00 9.535045e-03 288.14 -2.00 20.00 -2.00 320.51 0.00e+00 5.015 0.002 302.00 328.00 3 1.4753e+00 8.3695e-03 5.9540e-02 -6.0000e+00 5.3901e-01 4.0307e-02 1.1342e-02 3.5245e-02 -6.0000e+00 5.8220e-01 -9.1196e-02 1.0908e-02 1.7411e-02 -6.0000e+00 3.4643e-01 2.8339e-02 5.1894e-03 7.1548e-03 -6.0000e+00 1.4652e-01 4.9438e-04 -8.3200e-04 1.2778e-04 7.2173e-05 -6.0000e+00 1.0198e-02 1.3762e-02 0.0000e+00 11 8 0 10 0 0 -103.60 18.81 0.55 0.01376 0.00751 105 32 1 5 0 438.630 22.09 14.99 18.81 27.67 19.8 996.72 -110791 -144120 -40810 -159315 -109932 -124587 -90644 -101177 -66094 -114144 -121734 -113968 -52985 -54901 -71417 -26460 -62333 -16204 -42732 4982 -27742 -7654 -42770 -18197 -9383 -27315 -23918 -40341 -36806 -15106 -19034 -23969 33747 -9419 -13089 -14404 -8628 -9099 -4129 -3325 -2247 -131 2960 7459 2866 4555 2957 -320 -1689 1173 856 564 1139 3560 4451 4056 2445 3924 1621 2035 1597 3547 5771 4074 3822 -825 311 209 1118 937 1665 1615 1524 219 587 -1521 -1796 -2370 -2305 -1137 -2306 -1031 -2179 -1238 -719 1036 293 1630 1234 1457 292 -23 -86 -981 -1230 -619 295 -347 59 -167 -529 -875 -421 -926 -1723 -1290 -547 -267 985 499 451 502 399 275 -119 210 -426 -245 -534 -481 -288 515 -76 642 -37 -542 912 413 815 378 167 455 223 -77 -109 -364 112 -407 15 50 -37 -306 -641 -1334 -173 -1721 -679 -913 -525 -742 -382 -1145 -1409 -1451 -470 -635 -1212 -337 -1275 -231 -857 65 -514 -130 -1107 -402 -203 -742 -629 -1216 -1093 -410 -646 -1007 902 -396 -550 -642 -417 -537 -284 -265 -195 -12 273 671 276 443 300 -35 -197 145 119 88 192 633 823 783 488 759 314 398 337 826 1491 1165 1100 -242 91 65 396 376 711 701 639 86 209 -504 -582 -829 -940 -540 -1278 -629 -1442 -867 -538 806 239 1327 987 1095 207 -15 -58 -724 -1043 -549 298 -392 68 -185 -536 -891 -417 -983 -1789 -1407 -632 -334 1352 763 738 832 644 420 -175 304 -645 -393 -903 -821 -476 816 -117 942 -53 -747 1266 638 1414 724 343 896 468 -172 -260 -893 278 -1023 37 115 -79 -642 SS 20220711T111455.0Z 8227.468692 144 1 46.01 2 77.79 71.30 131.34 270.02 0.00 1 0.00 1 0 25 2.729e-01 6.455e-03 1.192e-01 3.086e-03 5.719621e-01 1.675973e-03 6.495081e-03 -6.000000e+00 1.606777e-01 232.69 -2.00 3.49 -2.00 320.91 0.00e+00 1.223454e-03 7.388767e-04 1.017073e-03 -6.000000e+00 7.132662e-03 288.14 -2.00 20.00 -2.00 320.25 0.00e+00 4.587 0.002 302.00 328.00 3 1.4183e+00 5.5913e-03 5.4491e-02 -6.0000e+00 4.0320e-01 7.8829e-03 7.3579e-03 3.2156e-02 -6.0000e+00 4.3551e-01 -5.6517e-02 6.8551e-03 1.5210e-02 -6.0000e+00 2.5914e-01 1.5352e-02 3.3215e-03 5.1163e-03 -6.0000e+00 1.0960e-01 8.2597e-04 -7.6313e-04 9.1624e-05 5.4450e-05 -6.0000e+00 7.6285e-03 1.3812e-02 0.0000e+00 11 8 0 10 0 0 -69.60 18.81 0.34 0.01381 0.00808 136 42 1 5 0 338.220 22.19 15.00 18.81 28.09 19.7 999.07 -65356 -66063 -52869 -115570 -99286 -105602 -97374 -103994 -52609 -91737 -74294 -80654 -33772 -50068 -28236 -21674 -23258 -8088 -19968 -7134 -12950 -16851 -34909 -11242 -13849 -23079 -19095 -26299 -29780 -1764 -8666 -1444 11726 -7389 -7703 -12593 -8645 -6010 -2508 -3100 -678 -1257 1722 2124 1843 2529 2679 -2687 -711 2265 1517 -229 1759 2186 2774 3548 1591 1895 1710 1771 1144 3839 3314 2900 2054 168 -265 630 1039 882 1170 1529 938 573 426 -1061 -2335 -2230 -1534 -1936 -1433 -1597 -2206 -1147 -213 319 934 1182 1199 1403 641 -348 -431 -556 -852 -441 318 141 -119 -185 -757 -630 -77 -478 -1156 -970 -618 -146 466 224 114 367 532 -46 96 -99 -263 -253 -404 -532 -36 363 163 448 -34 -509 998 565 422 539 282 342 163 141 -174 -229 149 -284 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