File name: Pandora187s1_PittsburghPA_20220224_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T082158.3Z 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_20220224_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: 20220224 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 20220224T165208.4Z 8090.702875 360 1 20.79 2 50.64 166.91 94.75 240.77 0.00 1 0.00 1 0 17 1.037e-02 7.051e-03 6.113e-03 3.017e-03 1.992617e-01 1.524548e-03 2.447611e-03 -6.000000e+00 5.939732e-03 225.23 -2.00 3.49 -2.00 316.18 0.00e+00 3.992398e-04 1.640969e-04 7.219653e-05 -6.000000e+00 2.562964e-04 274.68 -2.00 20.00 -2.00 315.62 0.00e+00 1.574 0.000 302.00 328.00 3 4.2844e+00 3.9397e-03 1.8255e-02 -6.0000e+00 1.4709e-02 3.5584e-02 4.4071e-03 1.0168e-02 -6.0000e+00 1.6011e-02 -4.2294e-03 2.5588e-03 5.0305e-03 -6.0000e+00 9.5085e-03 -3.7831e-03 1.1932e-03 1.4724e-03 -6.0000e+00 4.0366e-03 1.2859e-03 1.5949e-04 8.8049e-05 1.8249e-05 -6.0000e+00 2.8918e-04 -1.9124e-02 1.0601e-04 12 9 1 12 1 1 99.97 18.48 0.40 -0.01912 -0.01793 14 10 1 5 0 1374.020 21.79 15.02 18.48 8.60 14.7 964.38 255 -683 -1082 -4461 -3160 -2116 1830 -39 298 -1120 -2117 299 -1329 508 -496 -36 266 1629 502 1574 472 306 1237 1488 148 250 -723 -681 -739 1045 1622 865 1448 -1947 -3753 -1942 -1453 -1618 -276 -1044 -1170 -1195 -383 -75 366 -207 55 -495 -657 513 787 462 560 865 1446 1232 715 1022 552 812 1478 1445 1936 582 -131 -804 -784 -231 627 188 301 77 520 588 128 -99 -658 -843 -759 -1258 -1430 -1756 -2102 -1650 -756 -173 309 674 495 519 100 -465 -17 -313 -175 77 666 460 -85 -317 -658 -684 464 -78 -874 -502 -662 -98 696 427 368 515 357 24 135 -183 -180 -157 -445 -447 -526 149 184 295 7 10 1188 998 1035 701 576 219 487 423 104 -372 -43 -250 -342 -186 -454 -1003 52 -147 -232 -894 -560 -365 327 -8 65 -254 -475 68 -345 146 -160 -12 93 576 185 590 179 116 477 600 63 108 -306 -266 -271 378 615 351 619 -839 -1541 -803 -672 -802 -160 -688 -819 -863 -279 -54 263 -147 38 -331 -431 339 549 341 434 693 1172 1017 597 838 447 665 1266 1225 1745 544 -116 -713 -655 -194 577 177 302 78 518 555 120 -83 -513 -654 -642 -1199 -1383 -1836 -2312 -1916 -863 -209 386 851 611 599 114 -485 -16 -311 -188 92 799 595 -111 -393 -821 -800 541 -98 -1098 -657 -907 -139 1036 621 545 738 515 32 180 -239 -223 -208 -637 -664 -782 216 256 388 9 13 1488 1313 1339 955 806 312 714 655 159 -585 -68 -406 -547 -288 -680 -1590 SS 20220224T170706.8Z 8090.713273 368 1 45.96 2 50.11 171.66 97.17 242.97 0.00 1 0.00 1 0 17 1.035e-02 6.960e-03 5.326e-03 2.521e-03 2.007898e-01 1.275549e-03 2.480072e-03 -6.000000e+00 5.925850e-03 225.23 -2.00 3.49 -2.00 316.35 0.00e+00 3.020012e-04 1.422861e-04 6.314200e-05 -6.000000e+00 2.557299e-04 274.68 -2.00 20.00 -2.00 315.79 0.00e+00 1.556 0.000 302.00 328.00 3 4.6860e+00 3.3016e-03 1.8187e-02 -6.0000e+00 1.4675e-02 4.4227e-02 3.6928e-03 1.0278e-02 -6.0000e+00 1.5975e-02 -7.2355e-03 2.1489e-03 5.0913e-03 -6.0000e+00 9.4867e-03 -2.3899e-03 1.0122e-03 1.4718e-03 -6.0000e+00 4.0267e-03 8.6995e-04 -6.2353e-05 7.3763e-05 1.8841e-05 -6.0000e+00 2.8856e-04 -1.8788e-02 7.6105e-05 11 8 0 10 0 0 99.98 18.59 0.36 -0.01879 -0.01926 30 9 1 5 0 1531.760 21.88 15.00 18.59 8.71 14.9 966.05 689 768 -1446 -1956 -4139 -1389 -1663 320 -66 -2042 -2766 89 -2452 984 642 -212 116 439 193 1445 1558 -102 1075 1554 1070 -565 116 -393 -73 983 728 1200 1188 -1860 -3882 -1449 -1955 -1455 -161 -994 -1440 -957 -477 495 195 -384 -196 -669 -289 351 697 494 976 443 1346 1559 935 478 955 689 1211 1481 1828 875 -422 -923 -1176 44 328 204 261 484 506 350 -132 174 -1048 -882 -1103 -1195 -1047 -2181 -1909 -1380 -740 -451 389 634 590 557 293 -677 201 -388 -293 -191 770 483 -93 -250 -683 -618 327 -152 -947 -485 -586 5 862 402 115 520 395 -226 130 -242 -181 -93 -185 -522 -262 227 -53 195 154 -71 1410 921 801 623 393 565 330 453 135 -90 -64 -565 -302 -65 -466 -1032 122 143 -300 -368 -713 -230 -296 62 -14 -451 -602 20 -619 270 197 -70 39 151 69 521 561 -37 399 602 433 -237 47 -147 -26 341 267 466 488 -768 -1531 -571 -870 -759 -89 -627 -969 -661 -334 342 135 -263 -129 -429 -180 222 465 349 720 341 1044 1226 744 377 737 539 993 1306 1717 848 -391 -781 -941 35 289 200 272 470 524 344 -118 139 -782 -651 -891 -1084 -1048 -2182 -1996 -1521 -871 -562 500 825 751 663 319 -736 203 -400 -327 -215 951 642 -124 -319 -810 -686 362 -182 -1224 -652 -825 7 1216 598 175 762 586 -309 164 -299 -232 -127 -271 -797 -399 336 -75 264 198 -87 1668 1148 1065 871 565 822 497 662 208 -143 -105 -939 -492 -102 -710 -1546 SS 20220224T171231.3Z 8090.717029 371 1 34.29 2 49.97 173.39 98.06 243.76 0.00 1 0.00 1 0 17 9.843e-03 6.900e-03 3.605e-03 1.899e-03 1.986298e-01 9.650751e-04 2.440084e-03 -6.000000e+00 5.636405e-03 225.23 -2.00 3.49 -2.00 316.00 0.00e+00 4.033741e-04 1.005364e-04 7.932841e-05 -6.000000e+00 2.432249e-04 274.68 -2.00 20.00 -2.00 315.48 0.00e+00 1.552 0.000 302.00 328.00 3 4.0063e+00 2.4877e-03 1.8061e-02 -6.0000e+00 1.3958e-02 3.9324e-02 2.7781e-03 1.0120e-02 -6.0000e+00 1.5194e-02 -7.3956e-03 1.6042e-03 5.0034e-03 -6.0000e+00 9.0232e-03 -2.4080e-03 7.4236e-04 1.4697e-03 -6.0000e+00 3.8302e-03 1.7344e-03 1.2623e-04 5.5201e-05 1.8639e-05 -6.0000e+00 2.7444e-04 -1.8672e-02 9.9777e-05 12 9 1 12 1 1 99.92 18.63 0.35 -0.01867 -0.01772 24 10 1 5 0 1364.570 21.98 14.99 18.63 9.17 14.9 969.83 102 -188 -1326 -2375 -3925 -2035 534 888 -560 -1398 -2337 -586 -376 288 -47 307 429 1308 632 1963 537 1103 1410 1377 356 -83 -591 -441 -46 1178 864 1673 803 -2516 -3340 -2304 -1149 -1487 -163 -736 -1012 -1022 -869 -115 28 -590 -289 -1002 -288 377 519 287 793 987 1005 1283 1019 596 889 817 1204 1627 1813 711 -323 -851 -881 129 290 266 298 324 740 624 245 -84 -777 -543 -814 -1055 -1301 -1867 -2027 -1240 -894 -429 252 573 613 462 422 -427 -8 -84 -244 22 669 498 -90 -173 -629 -712 260 -288 -776 -480 -453 -113 610 241 137 418 325 131 123 -225 -256 -170 -430 -411 -283 102 112 341 -49 -188 959 1093 1088 880 524 475 597 346 65 -199 -82 -444 -431 -166 -548 -871 23 -44 -311 -509 -765 -384 105 195 -135 -347 -573 -147 -105 90 -16 113 162 504 230 795 220 448 589 548 148 -35 -246 -186 -18 460 357 729 373 -1178 -1475 -1033 -572 -795 -102 -478 -699 -728 -629 -83 20 -417 -197 -725 -203 268 357 210 603 779 806 1043 835 483 707 659 1018 1477 1756 657 -308 -741 -723 106 264 268 296 327 728 630 226 -70 -650 -449 -676 -984 -1345 -1930 -2201 -1416 -1094 -515 313 718 751 571 475 -440 -8 -89 -259 26 858 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