File name: Pandora187s1_PittsburghPA_20231227_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T190750.4Z 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_20231227_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: 20231227 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 20231227T193614.1Z 8761.816829 485 1 5.72 2 71.12 212.70 109.55 21.60 0.00 1 0.00 1 0 25 9.941e-02 8.335e-03 1.618e-01 8.979e-03 4.527729e-01 4.576157e-03 5.384281e-03 -6.000000e+00 5.680644e-02 223.12 -2.00 3.49 -2.00 319.41 0.00e+00 1.700730e-03 1.233140e-03 3.598251e-04 -6.000000e+00 2.465234e-03 275.27 -2.00 20.00 -2.00 318.88 0.00e+00 3.054 0.000 302.00 328.00 3 3.7446e+00 1.2724e-02 3.7515e-02 -6.0000e+00 1.4001e-01 2.0438e-02 1.4961e-02 2.3464e-02 -6.0000e+00 1.5228e-01 3.5915e-04 1.2391e-02 1.1777e-02 -6.0000e+00 9.0615e-02 -6.2996e-03 6.5796e-03 4.0595e-03 -6.0000e+00 3.8928e-02 3.6921e-04 3.3902e-05 2.5909e-04 4.2310e-05 -6.0000e+00 2.7660e-03 -4.4213e-03 6.2523e-05 12 9 1 12 1 1 99.49 18.88 0.34 -0.00442 -0.00417 3 10 1 5 0 1427.650 22.29 15.00 18.88 16.63 29.0 978.30 49270 -34020 14219 -50397 -3772 -24569 -29326 -5482 15076 -5236 -36892 13330 -19649 -5928 -30452 17494 -21790 16920 -6577 1703 -6401 -11591 -17386 -3149 -1484 -11774 -381 -2751 -461 -2771 2389 -4118 16234 -6535 651 -6462 -1654 -6498 -1158 -3128 -5501 -216 860 3775 564 4061 1511 2642 -2915 4106 347 1638 -539 2860 2592 455 1843 1641 991 852 -309 2238 2370 -21 1195 -151 1083 -572 -32 317 1319 -510 562 561 420 -93 850 -1707 -945 -1132 -1980 -701 -2654 -1871 -738 207 217 380 195 238 927 658 341 537 -641 -933 672 134 16 -287 -494 -1391 999 368 -1138 -828 -911 -357 703 386 -157 398 289 371 -450 450 -131 129 -60 -618 -594 276 -37 703 393 -454 588 229 982 297 1319 393 427 90 211 -756 -39 -355 -615 401 -299 -478 431 -785 215 -1404 -60 -469 -630 -105 264 -121 -1204 286 -704 -226 -1794 738 -1492 848 -445 111 -464 -886 -1467 -248 -123 -1134 -33 -234 -41 -262 243 -462 1833 -879 78 -828 -224 -1091 -224 -727 -1449 -57 235 1018 158 1115 427 745 -884 1216 116 593 -215 1179 1118 207 842 745 442 379 -145 1126 1324 -12 675 -89 613 -335 -19 212 945 -384 410 387 265 -58 488 -1013 -618 -787 -1584 -616 -2545 -1736 -725 214 234 419 212 247 953 628 311 504 -674 -1031 827 170 22 -371 -636 -1643 1105 430 -1449 -1105 -1191 -493 1040 624 -254 645 485 582 -665 639 -191 198 -98 -1046 -995 443 -58 1042 558 -621 782 326 1528 506 2197 684 774 174 403 -1509 -80 -727 -1242 766 -583 -896 SS 20231227T194029.1Z 8761.819781 488 1 1.01 2 71.56 213.62 109.27 22.51 0.00 1 0.00 1 0 17 8.409e-02 8.409e-03 1.839e-01 1.123e-02 4.659112e-01 5.718144e-03 5.524731e-03 -6.000000e+00 4.805960e-02 223.12 -2.00 3.49 -2.00 319.43 0.00e+00 2.503899e-04 1.559805e-03 8.270630e-04 -6.000000e+00 2.085419e-03 275.27 -2.00 20.00 -2.00 318.91 0.00e+00 3.122 0.000 302.00 328.00 3 2.2794e+00 1.5902e-02 3.8472e-02 -6.0000e+00 1.1846e-01 1.9758e-02 1.8780e-02 2.4274e-02 -6.0000e+00 1.2882e-01 -6.6960e-03 1.5648e-02 1.2176e-02 -6.0000e+00 7.6659e-02 -3.7009e-03 8.2954e-03 3.6673e-03 -6.0000e+00 3.2939e-02 1.4861e-03 -6.0310e-05 3.2373e-04 4.0433e-05 -6.0000e+00 2.3396e-03 -5.8975e-03 4.7486e-05 12 9 1 12 1 1 999.00 18.88 0.41 -0.00590 -0.00635 2 42 1 5 0 331.650 22.29 15.00 18.88 16.84 29.0 980.40 -10759 -27746 -4638 -14168 3433 -19536 -34091 -26035 -26738 -26759 -44145 -11088 -40412 1638 -13947 5108 -4773 8751 -9923 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-1213 -283 495 415 1560 -183 280 85 685 100 -1367 633 340 -788 1155 -1519 33 -232 1477 252 -1165 -1113 -1298 168 184 -885 -1391 1029 1002 -268 -333 2101 -967 -1318 -424 131 -409 -463 422 244 -65 -323 1896 2119 2022 572 894 -627 829 260 1481 -759 -223 -1223 -64 -384 -540 -1352 SS 20231227T195838.4Z 8761.832388 497 1 45.72 2 73.57 217.45 107.91 26.32 0.00 1 0.00 1 0 25 1.728e-01 6.702e-03 1.057e-01 4.287e-03 5.127764e-01 2.242713e-03 6.070325e-03 -6.000000e+00 9.868427e-02 223.12 -2.00 3.49 -2.00 320.20 0.00e+00 4.752203e-04 7.617332e-04 8.675985e-04 -6.000000e+00 4.284199e-03 275.27 -2.00 20.00 -2.00 319.68 0.00e+00 3.479 0.001 302.00 328.00 3 3.4985e+00 6.5645e-03 4.2885e-02 -6.0000e+00 2.4323e-01 2.8073e-02 8.1047e-03 2.7179e-02 -6.0000e+00 2.6459e-01 -5.3982e-03 7.5387e-03 1.3814e-02 -6.0000e+00 1.5744e-01 -5.0899e-03 3.8706e-03 4.1837e-03 -6.0000e+00 6.7596e-02 2.9705e-04 -6.5434e-04 1.2632e-04 5.0462e-05 -6.0000e+00 4.8068e-03 -2.6419e-03 -3.5000e-05 11 8 0 10 0 0 99.98 18.88 0.43 -0.00264 -0.00756 100 31 1 5 0 457.080 22.29 15.00 18.88 18.11 28.7 987.81 -43710 -29287 -53456 -59376 -62152 -66613 -79380 -41931 -57720 -51521 -40339 -43734 -39749 -22015 -30562 6697 -17048 3633 -9281 -8417 -6867 -11122 -18553 -5427 -8569 -19092 -10074 -12644 -7201 -6487 -6392 -4713 13789 837 -6016 -3015 -842 -2262 -1913 2319 -1832 358 -338 476 2662 2904 164 338 -1455 600 2163 -362 612 1902 2267 1953 896 657 1837 391 1114 2268 3481 2455 1285 338 -313 -606 942 381 501 805 655 1196 257 -385 -1716 -1326 -798 -1300 -1637 -1447 -2145 -1712 -691 -293 637 685 865 1192 836 303 240 -346 -506 -562 44 196 60 -245 -609 -712 420 40 -1496 -794 -848 -410 441 404 -9 569 574 226 52 27 -295 -426 -231 -424 -590 124 -13 459 -24 -341 630 1133 1066 402 237 431 43 179 -241 -271 179 -159 -230 115 -183 -545 -415 -278 -691 -790 -779 -861 -1267 -526 -965 -881 -644 -798 -846 -485 -894 174 -564 117 -365 -345 -284 -484 -915 -256 -451 -1181 -577 -714 -373 -352 -398 -333 916 66 -490 -239 -73 -236 -244 336 -309 63 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