File name: Pandora187s1_PittsburghPA_20211201_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T080931.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 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_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20211201_L1_smca1c2d20210902p1-8.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: 20211201 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]: 305.1270 305.2683 305.4097 305.5510 305.6924 305.8337 305.9750 306.1163 306.2576 306.3989 306.5402 306.6814 306.8227 306.9639 307.1051 307.2464 307.3876 307.5288 307.6699 307.8111 307.9523 308.0934 308.2346 308.3757 308.5168 308.6579 308.7990 308.9401 309.0812 309.2222 309.3633 309.5043 309.6454 309.7864 309.9274 310.0684 310.2094 310.3504 310.4914 310.6323 310.7733 310.9142 311.0551 311.1960 311.3369 311.4778 311.6187 311.7596 311.9004 312.0413 312.1821 312.3230 312.4638 312.6046 312.7454 312.8862 313.0269 313.1677 313.3084 313.4492 313.5899 313.7306 313.8713 314.0120 314.1527 314.2934 314.4341 314.5747 314.7154 314.8560 314.9966 315.1372 315.2778 315.4184 315.5590 315.6996 315.8401 315.9807 316.1212 316.2617 316.4022 316.5427 316.6832 316.8237 316.9642 317.1046 317.2451 317.3855 317.5259 317.6663 317.8067 317.9471 318.0875 318.2279 318.3682 318.5086 318.6489 318.7892 318.9295 319.0698 319.2101 319.3504 319.4907 319.6309 319.7712 319.9114 320.0516 320.1919 320.3321 320.4723 320.6124 320.7526 320.8928 321.0329 321.1730 321.3132 321.4533 321.5934 321.7335 321.8735 322.0136 322.1537 322.2937 322.4337 322.5738 322.7138 322.8538 322.9938 323.1337 323.2737 323.4137 323.5536 323.6935 323.8335 323.9734 324.1133 324.2532 324.3930 324.5329 324.6728 324.8126 324.9524 --------------------------------------------------------------------------------------- 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 20211201T133754.9Z 8005.567997 179 1 46.04 2 79.33 131.25 52.41 161.36 0.00 1 0.00 1 0 25 4.504e-01 8.584e-03 1.700e-01 4.435e-03 6.637467e-01 2.372513e-03 7.534970e-03 -6.000000e+00 2.553701e-01 222.98 -2.00 3.49 -2.00 321.18 0.00e+00 1.046308e-03 1.110344e-03 1.938337e-03 -6.000000e+00 1.125937e-02 277.57 -2.00 20.00 -2.00 320.68 0.00e+00 5.198 0.002 302.00 328.00 3 1.3693e+00 7.9044e-03 6.1663e-02 -6.0000e+00 6.2856e-01 1.0431e-01 1.0861e-02 3.7760e-02 -6.0000e+00 6.8536e-01 -1.5040e-01 1.1343e-02 1.8799e-02 -6.0000e+00 4.0843e-01 5.4889e-02 5.4365e-03 5.7566e-03 -6.0000e+00 1.7433e-01 4.5097e-04 -1.3593e-03 1.2758e-04 7.9238e-05 -6.0000e+00 1.2560e-02 -8.7106e-03 -2.0266e-05 11 8 0 10 0 0 49.17 18.61 0.48 -0.00871 -0.01893 77 24 1 5 0 597.820 21.88 15.00 18.61 8.53 12.6 905.61 -122536 -137008 -122915 -171196 -174265 -167344 -163260 -126257 -105216 -97795 -144074 -97142 -123298 -51385 -91737 -2584 -60605 -12296 -49899 -6858 -32481 -36555 -36091 -24530 -17011 -41537 -26815 -41188 -29807 -13259 -16808 -16253 8127 -3581 -8418 -14190 -1983 -7284 -1609 7163 479 1063 3400 5260 6930 3509 -359 -515 -5767 4435 2888 2664 2435 2776 5435 7737 4227 3167 4919 2083 2839 3613 7054 3354 2203 1563 2176 189 1404 1494 1845 1719 1040 823 -913 -2424 -2558 -2133 -1881 -453 -1936 -1059 -2508 -1131 -972 372 842 1314 1164 1433 803 -420 -461 -1453 -1177 -975 492 237 -121 -332 -594 -1266 90 -893 -1861 -1129 -826 -100 556 398 -228 678 373 45 325 -175 -338 -306 -602 -332 22 543 412 711 11 -296 1115 193 941 296 382 410 44 101 -146 -268 18 -316 -62 86 -204 -407 -771 -1131 -918 -1952 -1918 -1776 -1861 -1142 -869 -807 -2039 -1031 -2181 -566 -1875 -25 -1191 -164 -1040 -107 -660 -790 -843 -562 -390 -1275 -707 -1211 -799 -344 -545 -619 274 -138 -328 -614 -87 -413 -106 505 40 93 303 466 614 329 -36 -54 -678 518 386 396 398 489 980 1419 813 603 893 392 568 811 1742 937 626 438 617 59 494 592 777 732 427 312 -317 -782 -814 -733 -758 -213 -1066 -645 -1661 -787 -722 287 672 1050 907 1046 550 -278 -308 -1081 -1008 -879 503 269 -141 -370 -601 -1166 88 -852 -1909 -1212 -946 -124 767 613 -380 1134 610 69 481 -259 -521 -498 -1027 -565 36 850 625 1031 16 -404 1548 303 1657 531 733 828 94 233 -354 -670 45 -799 -151 196 -440 -849 SS 20211201T134355.7Z 8005.572173 182 1 46.01 2 78.48 132.37 52.09 163.15 0.00 1 0.00 1 0 25 3.625e-01 7.009e-03 1.341e-01 3.551e-03 6.248382e-01 1.882130e-03 7.082330e-03 -6.000000e+00 2.054808e-01 222.98 -2.00 3.49 -2.00 321.01 0.00e+00 1.612489e-03 8.351206e-04 1.435163e-03 -6.000000e+00 9.059828e-03 277.57 -2.00 20.00 -2.00 320.50 0.00e+00 4.844 0.002 302.00 328.00 3 1.2922e+00 6.1013e-03 5.7322e-02 -6.0000e+00 5.0577e-01 6.9669e-02 8.2108e-03 3.4653e-02 -6.0000e+00 5.5147e-01 -8.9742e-02 8.4671e-03 1.7135e-02 -6.0000e+00 3.2864e-01 2.6538e-02 4.1135e-03 5.6319e-03 -6.0000e+00 1.4027e-01 6.9932e-04 -1.0384e-03 1.0293e-04 6.8573e-05 -6.0000e+00 1.0107e-02 -8.7470e-03 -2.4937e-05 11 8 0 10 0 0 91.80 18.60 0.40 -0.00875 -0.01655 117 36 1 5 0 393.190 21.88 14.99 18.60 9.22 12.6 911.04 -119411 -125704 -114491 -143494 -101706 -143571 -138324 -73548 -103945 -96847 -86371 -91505 -87738 -45400 -50475 -20505 -43145 -12412 -28294 -15629 -9231 -25004 -27055 -13655 -20787 -24343 -23653 -34708 -28299 -8660 -14510 -10679 -3548 -4686 -13570 -10742 -5334 -8317 -1136 1911 -2151 838 1364 2224 2401 2703 939 -36 -4066 1648 2223 2280 3704 3621 3104 4887 2586 1140 2277 1170 992 4085 4478 2261 1123 563 -77 600 2401 1221 1989 1516 1506 413 -206 -1290 -1927 -2072 -861 -1373 -1578 -1695 -2168 -1492 -399 128 870 873 1549 1080 611 -440 -859 -1007 -1032 -556 495 276 -166 -369 -562 -571 111 -732 -1480 -678 -596 63 378 358 50 551 355 55 81 -98 -345 -333 -523 -335 -20 530 353 443 -191 -434 1104 265 526 344 261 272 272 91 -262 -144 148 -361 -71 149 -251 -328 -902 -1147 -973 -1536 -672 -1491 -1524 -486 -1047 -975 -843 -1123 -1326 -572 -826 -290 -856 -199 -570 -319 -179 -580 -693 -336 -590 -750 -721 -1142 -892 -255 -543 -451 -157 -213 -648 -524 -284 -556 -87 165 -212 85 144 236 259 297 108 -4 -539 226 340 386 676 712 644 1034 567 248 478 251 229 1030 1274 713 358 176 -24 204 915 530 913 705 672 172 -78 -450 -664 -773 -371 -700 -927 -1110 -1524 -1109 -314 96 672 679 1281 842 445 -308 -608 -781 -920 -519 524 323 -199 -422 -584 -538 102 -723 -1568 -750 -705 80 537 563 84 931 582 86 120 -145 -530 -542 -892 -571 -33 836 539 649 -271 -595 1534 414 923 609 494 540 571 205 -624 -351 365 -896 -170 334 -532 -676 SS 20211201T134922.9Z 8005.575960 185 1 45.87 2 77.72 133.41 51.83 164.79 0.00 1 0.00 1 0 25 3.053e-01 6.904e-03 8.248e-02 2.625e-03 5.941360e-01 1.362134e-03 6.722696e-03 -6.000000e+00 1.730810e-01 222.98 -2.00 3.49 -2.00 320.79 0.00e+00 1.863281e-03 5.656561e-04 1.280178e-03 -6.000000e+00 7.630731e-03 277.57 -2.00 20.00 -2.00 320.25 0.00e+00 4.567 0.002 302.00 328.00 3 1.1055e+00 4.2417e-03 5.3949e-02 -6.0000e+00 4.2602e-01 6.2212e-02 5.5622e-03 3.2414e-02 -6.0000e+00 4.6450e-01 -8.1634e-02 5.6095e-03 1.6053e-02 -6.0000e+00 2.7681e-01 2.4374e-02 2.7788e-03 5.4108e-03 -6.0000e+00 1.1816e-01 1.1203e-03 -1.0952e-03 7.5419e-05 5.8124e-05 -6.0000e+00 8.5119e-03 -9.2117e-03 -1.5390e-05 11 8 0 10 0 0 86.55 18.57 0.43 -0.00921 -0.01744 144 44 1 5 0 318.480 21.88 15.00 18.57 9.67 12.5 914.28 -103300 -100783 -96960 -98355 -92142 -111643 -122862 -75905 -103405 -80221 -93566 -69903 -65274 -40396 -46741 -21100 -32925 -12056 -20056 -11674 -6455 -13657 -10057 -13456 -7334 -18657 -14960 -26271 -15603 -10066 -13287 -10505 -2804 -6899 -13928 -9650 -4477 -5094 -1960 2211 -1807 1334 1812 3902 384 642 715 -711 -1452 2774 1750 2294 2626 2574 3170 3471 2798 1084 1936 1315 2154 2813 3531 2117 571 833 893 834 778 1158 1521 1341 883 1260 -569 -851 -2007 -1818 -2079 -1172 -1615 -1883 -2287 -1483 -669 -150 833 1317 1307 1146 663 -625 -366 -1147 -920 -324 594 230 -178 -292 -418 -558 312 -516 -1452 -762 -500 -26 521 389 23 546 229 113 -73 -48 -361 -459 -489 -303 66 428 292 418 -39 -488 847 468 477 496 255 319 224 48 -166 -129 75 -366 -148 132 -233 -350 -937 -1008 -970 -938 -772 -1169 -1601 -706 -1420 -933 -1328 -927 -1048 -639 -968 -432 -843 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