File name: Pandora187s1_PittsburghPA_20220226_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T082310.9Z 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_20220226_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: 20220226 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 20220226T152752.8Z 8092.644361 229 1 10.54 2 56.85 142.27 71.20 201.96 0.00 1 0.00 1 0 17 1.131e-02 6.588e-03 4.993e-03 1.936e-03 2.471940e-01 9.784394e-04 3.022804e-03 -6.000000e+00 6.478894e-03 225.32 -2.00 3.49 -2.00 316.80 0.00e+00 4.524681e-04 1.219020e-04 1.014768e-04 -6.000000e+00 2.796822e-04 274.80 -2.00 20.00 -2.00 316.23 0.00e+00 1.823 0.000 302.00 328.00 3 2.4980e+00 2.5512e-03 2.1653e-02 -6.0000e+00 1.6047e-02 3.5741e-02 2.8597e-03 1.2610e-02 -6.0000e+00 1.7468e-02 -7.1136e-03 1.6917e-03 6.2511e-03 -6.0000e+00 1.0374e-02 -3.2208e-03 8.1768e-04 1.8239e-03 -6.0000e+00 4.4020e-03 5.5395e-03 -2.1906e-04 5.6572e-05 2.2185e-05 -6.0000e+00 3.1547e-04 -1.8277e-02 4.2151e-05 12 9 1 12 1 1 98.84 18.60 0.33 -0.01828 -0.01992 29 41 1 5 0 345.070 21.88 15.01 18.60 3.18 14.4 925.35 -919 -2043 -1596 -4830 -2586 -1935 -1043 -1516 -1643 -3040 -3523 -1664 -1601 -302 395 -87 263 1227 917 1886 634 947 1325 1273 1031 1029 152 -605 -351 1195 1398 1494 792 -2756 -3031 -3038 -1631 -1287 -384 -959 -1105 -733 -584 -169 120 -391 -403 -407 -331 634 865 809 1001 814 976 1019 792 642 904 930 1425 1642 1700 714 -238 -801 -679 -228 577 322 391 376 353 608 94 477 -450 -467 -543 -863 -1184 -1842 -2281 -1491 -969 -446 193 254 373 395 261 -268 -131 28 -255 138 650 381 -56 -242 -614 -531 265 -238 -731 -497 -493 -145 636 253 133 194 368 92 278 30 -305 -159 -406 -566 -234 46 298 252 285 -79 1191 882 886 856 540 360 547 325 1 -194 -70 -533 -412 -190 -576 -721 -131 -313 -242 -688 -325 -239 -138 -226 -268 -515 -592 -291 -317 -67 98 -23 73 351 272 571 195 289 418 424 359 367 53 -198 -108 368 460 530 301 -1065 -1102 -1136 -678 -573 -201 -573 -705 -482 -359 -113 79 -258 -259 -255 -205 399 579 527 686 583 712 757 593 474 655 683 1097 1367 1521 664 -212 -658 -529 -180 502 313 373 365 335 588 83 376 -362 -376 -441 -793 -1118 -1894 -2474 -1702 -1098 -534 238 318 455 486 294 -276 -138 28 -277 166 801 507 -75 -310 -727 -632 314 -305 -935 -663 -688 -212 912 385 208 294 522 129 361 38 -403 -223 -573 -828 -340 65 433 347 374 -99 1564 1139 1226 1250 816 517 811 510 1 -311 -115 -888 -673 -318 -934 -1142 SS 20220226T162238.9Z 8092.682395 266 1 2.39 2 51.61 157.69 75.84 213.29 0.00 1 0.00 1 0 17 1.260e-02 8.197e-03 1.411e-02 6.658e-03 2.171380e-01 3.370301e-03 2.666311e-03 -6.000000e+00 7.217301e-03 225.32 -2.00 3.49 -2.00 316.29 0.00e+00 5.517952e-04 3.722321e-04 6.438035e-05 -6.000000e+00 3.115726e-04 274.80 -2.00 20.00 -2.00 315.73 0.00e+00 1.607 0.000 302.00 328.00 3 3.3347e+00 8.7179e-03 1.9062e-02 -6.0000e+00 1.7876e-02 4.2364e-02 9.7655e-03 1.1075e-02 -6.0000e+00 1.9459e-02 -3.8904e-03 5.6781e-03 5.4895e-03 -6.0000e+00 1.1556e-02 -4.4488e-03 2.6648e-03 1.6208e-03 -6.0000e+00 4.9036e-03 3.0930e-03 -2.6203e-04 1.9393e-04 2.0196e-05 -6.0000e+00 3.5148e-04 -1.8760e-02 2.7815e-06 12 9 1 12 1 1 999.00 18.63 0.23 -0.01876 -0.02073 2 19 1 5 0 737.380 21.98 15.00 18.63 4.38 14.5 934.27 443 -1261 -280 -4973 -2851 -1890 -485 -1781 1848 -4729 -3287 -1394 -211 862 738 -173 -1173 787 -197 1843 1644 979 1201 2653 603 588 7 455 -1729 479 840 1866 49 -2254 -3527 -3244 -1044 -1656 -645 -1646 -652 -1561 -21 522 257 307 -814 -994 -583 -125 2136 1088 1043 1437 889 2185 564 491 242 1085 1829 1595 1220 992 -274 -99 -1351 424 416 -458 -17 159 1069 256 124 -944 -631 -1184 94 -1298 -1143 -1838 -2736 -1255 -395 -295 703 486 744 437 337 -333 -555 -493 -775 183 527 179 412 -1007 -631 -707 104 -546 -627 -1046 -220 -111 520 469 171 962 731 -708 -380 292 -85 200 -255 6 -714 108 28 577 234 275 530 1520 697 1371 703 712 613 -145 -195 -543 -125 -335 -89 37 -705 -1289 82 -252 -55 -924 -465 -302 -82 -342 372 -1037 -697 -305 -51 235 225 -57 -399 272 -71 667 597 356 451 1029 249 247 3 172 -628 172 318 748 21 -975 -1448 -1364 -483 -844 -386 -1048 -437 -1089 -15 363 179 210 -547 -649 -399 -81 1438 784 790 1126 713 1759 464 398 194 872 1537 1361 1120 934 -247 -87 -1132 353 360 -445 -18 166 1082 247 109 -801 -492 -924 80 -1169 -1138 -1988 -2947 -1412 -473 -354 869 611 910 531 374 -359 -562 -509 -873 212 675 234 539 -1266 -773 -812 119 -678 -787 -1378 -300 -158 738 701 261 1415 1063 -956 -503 375 -114 268 -369 8 -1016 156 39 762 313 348 659 1967 917 1884 999 1027 865 -218 -309 -845 -198 -537 -140 58 -1095 -1966 SS 20220226T163115.3Z 8092.688371 272 1 8.91 2 51.02 160.31 76.72 214.97 0.00 1 0.00 1 0 17 1.068e-02 7.123e-03 7.914e-03 3.847e-03 2.137288e-01 1.951416e-03 2.622981e-03 -6.000000e+00 6.116516e-03 225.32 -2.00 3.49 -2.00 316.23 0.00e+00 2.603447e-04 2.129363e-04 6.515110e-05 -6.000000e+00 2.639941e-04 274.80 -2.00 20.00 -2.00 315.69 0.00e+00 1.586 0.000 302.00 328.00 3 3.8782e+00 5.0460e-03 1.8795e-02 -6.0000e+00 1.5149e-02 4.1903e-02 5.6407e-03 1.0883e-02 -6.0000e+00 1.6490e-02 -3.6309e-03 3.2680e-03 5.3904e-03 -6.0000e+00 9.7927e-03 -3.2271e-03 1.5329e-03 1.5518e-03 -6.0000e+00 4.1563e-03 1.8444e-03 1.2833e-04 1.1180e-04 1.9629e-05 -6.0000e+00 2.9774e-04 -1.8355e-02 1.0483e-04 12 9 1 12 9 1 99.79 18.69 0.44 -0.01836 -0.01739 6 11 1 5 0 1245.820 22.09 14.99 18.69 4.84 14.7 938.02 -140 -1266 751 -4264 -3817 -2857 752 1205 780 -786 -2498 277 -658 1268 -360 -321 -637 -523 -618 1495 1198 1381 1128 1370 185 -524 421 -341 -536 2080 1408 932 1119 -1966 -3367 -2239 -1903 -1411 -259 -713 -807 -800 -779 -40 266 -570 58 -620 -412 460 835 421 1571 821 1314 801 749 135 907 1012 1481 1681 1870 1078 -341 -613 -1099 -440 269 -108 323 422 260 264 188 23 -1034 -256 -283 -688 -1211 -1952 -2298 -1393 -1008 -807 338 376 373 725 462 -289 313 -818 45 160 819 716 44 -47 -557 -563 111 -190 -1001 -618 -723 -20 831 356 340 238 272 -65 -101 325 -32 58 -343 -692 -299 47 167 419 242 -287 745 1087 1059 811 479 367 389 357 -19 -239 -158 -382 -84 -263 -425 -998 -27 -265 152 -824 -659 -482 132 235 166 -174 -552 62 -167 358 -115 -110 -224 -189 -231 562 452 517 438 558 72 -210 178 -135 -199 757 546 388 492 -871 -1417 -957 -911 -721 -155 -485 -534 -547 -542 -28 182 -388 38 -432 -281 318 559 299 1160 635 1030 642 604 108 707 798 1224 1497 1779 977 -321 -527 -897 -362 243 -101 319 422 255 266 172 19 -862 -210 -233 -640 -1253 -2025 -2510 -1598 -1149 -975 420 473 459 895 521 -298 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