File name: Pandora187s1_PittsburghPA_20240216_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20240217T053822.0Z 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 v1.8.59 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20240216_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: 20240216 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 20240216T132005.3Z 8812.555617 88 1 45.85 2 78.89 117.06 110.91 32.09 0.00 1 0.00 1 0 17 6.547e-01 8.332e-03 2.104e-01 3.825e-03 7.963015e-01 2.117306e-03 8.790154e-03 -6.000000e+00 3.761730e-01 224.86 -2.00 3.49 -2.00 321.50 0.00e+00 1.591829e-03 1.034720e-03 1.675294e-03 -6.000000e+00 1.615469e-02 274.15 -2.00 20.00 -2.00 321.07 0.00e+00 5.008 0.002 302.00 328.00 3 9.7791e-01 7.2088e-03 6.5238e-02 -6.0000e+00 9.3110e-01 1.7261e-01 1.0799e-02 4.6067e-02 -6.0000e+00 1.0120e+00 -2.1484e-01 1.2312e-02 2.4922e-02 -6.0000e+00 6.0101e-01 7.4379e-02 5.7803e-03 8.5025e-03 -6.0000e+00 2.5677e-01 6.5971e-04 -1.0287e-03 1.0556e-04 1.0390e-04 -6.0000e+00 1.8216e-02 -2.5873e-02 0.0000e+00 11 8 0 10 0 0 97.34 18.95 0.42 -0.02587 -0.03360 190 58 1 5 0 241.250 22.29 15.00 18.95 4.84 28.2 923.42 -170604 -184072 -175477 -232540 -218511 -218129 -237287 -189886 -160217 -188840 -191872 -187845 -153932 -132045 -115314 -79387 -77371 -49487 -59490 -35233 -33084 -59123 -85396 -30327 -47251 -63350 -57734 -62034 -59095 -27728 -44954 -29263 32614 -15167 -12861 -10114 -9458 -8520 -1105 4972 -984 -696 4989 296 681 1796 5479 -1420 809 2683 6138 5757 5433 7523 9531 6977 4241 5936 3248 934 440 2502 6278 5932 2323 1825 1967 1172 2174 2941 3522 2538 2082 1102 -279 -2515 -3309 -3973 -3708 -1232 -1150 -1196 -1466 -1610 263 710 1299 1407 1407 1474 195 -319 -850 -969 -1122 -965 31 46 -169 -356 -762 -940 157 -18 -1649 -1346 -990 -496 568 62 -85 51 393 -239 87 40 -2 -33 -104 53 225 717 782 426 44 -624 538 643 255 322 124 210 -5 63 -222 -282 218 -6 -76 115 -238 -417 -636 -936 -892 -2050 -1556 -1553 -2252 -1288 -923 -1601 -1821 -2038 -1566 -1433 -1368 -807 -892 -487 -706 -346 -325 -762 -1534 -385 -775 -1299 -1141 -1249 -1168 -455 -1090 -742 523 -419 -336 -260 -272 -292 -44 223 -53 -40 287 18 42 114 347 -102 61 220 554 590 620 923 1223 963 617 837 453 131 65 408 1140 1223 521 409 450 288 601 926 1197 893 711 351 -81 -674 -867 -1121 -1225 -478 -524 -622 -833 -974 167 473 894 981 964 956 120 -187 -503 -626 -842 -850 29 48 -188 -387 -762 -921 142 -17 -1672 -1432 -1121 -554 708 88 -134 84 641 -378 131 58 -2 -53 -174 88 362 1091 1148 604 60 -833 715 948 435 620 262 472 -10 147 -555 -728 568 -16 -194 274 -529 -955 SS 20240216T132523.2Z 8812.559296 91 1 45.93 2 77.99 118.02 110.38 33.20 0.00 1 0.00 1 0 25 5.450e-01 6.729e-03 1.344e-01 2.526e-03 7.506836e-01 1.374514e-03 8.402432e-03 -6.000000e+00 3.131204e-01 224.86 -2.00 3.49 -2.00 321.28 0.00e+00 1.655420e-03 6.391970e-04 1.802059e-03 -6.000000e+00 1.344708e-02 274.15 -2.00 20.00 -2.00 320.84 0.00e+00 4.663 0.002 302.00 328.00 3 7.5780e-01 4.5346e-03 6.0957e-02 -6.0000e+00 7.7503e-01 1.2088e-01 6.5961e-03 4.3032e-02 -6.0000e+00 8.4240e-01 -1.4096e-01 7.4361e-03 2.2445e-02 -6.0000e+00 5.0027e-01 4.3717e-02 3.5383e-03 7.5378e-03 -6.0000e+00 2.1373e-01 1.1828e-03 -1.0489e-03 6.9395e-05 9.0466e-05 -6.0000e+00 1.5163e-02 -2.5719e-02 0.0000e+00 11 8 0 10 0 0 99.01 18.95 0.36 -0.02572 -0.03360 238 73 1 5 0 192.940 22.40 15.00 18.95 5.11 28.3 925.86 -168439 -150968 -167432 -189364 -193430 -179594 -189296 -181082 -134980 -168148 -131437 -165889 -103588 -101082 -66647 -64422 -56212 -48235 -43045 -39141 -25558 -48636 -50553 -31221 -34015 -38123 -44392 -34749 -48314 -29491 -34750 -11505 8059 1463 -17068 -11867 -12564 -7320 -4373 -361 -759 -152 4215 1713 4725 -298 4022 -954 1536 234 4494 2792 4342 3414 5179 4732 3025 4070 1477 1274 215 3651 3731 3839 1330 723 138 350 1159 2170 2114 1700 1168 776 -295 -1599 -2241 -2804 -1141 -1586 -764 -1254 -1642 -1469 -285 -42 1084 1039 1480 1034 460 -330 -962 -818 -1175 -560 215 516 -185 -31 -775 -762 185 -159 -1422 -968 -776 -257 415 -11 34 11 572 -150 115 59 191 -167 -191 -220 86 515 406 300 18 -577 439 756 208 178 166 156 -96 170 -252 -241 157 -77 -133 194 -29 -419 -792 -710 -1012 -1399 -1386 -1126 -1441 -1460 -786 -1506 -883 -1857 -812 -1019 -612 -707 -655 -583 -540 -550 -321 -779 -884 -500 -612 -761 -962 -668 -1071 -610 -933 -298 201 41 -563 -377 -452 -301 -216 -21 -49 -11 295 126 342 -23 312 -82 138 23 487 347 588 511 811 780 520 684 246 210 38 691 812 940 348 188 37 99 367 779 825 684 457 283 -98 -485 -661 -883 -412 -688 -385 -723 -1033 -979 -200 -29 828 732 1123 747 311 -214 -624 -573 -954 -480 213 577 -220 -35 -825 -723 163 -146 -1406 -1002 -855 -306 550 -17 57 18 971 -245 179 90 298 -276 -330 -383 145 820 623 444 25 -800 605 1146 364 320 325 325 -212 402 -586 -577 381 -187 -343 466 -64 -897 SS 20240216T133050.0Z 8812.563079 94 1 45.85 2 77.08 119.01 109.81 34.34 0.00 1 0.00 1 0 17 4.621e-01 6.470e-03 7.844e-02 1.706e-03 7.101165e-01 9.116589e-04 7.913914e-03 -6.000000e+00 2.655333e-01 224.86 -2.00 3.49 -2.00 321.09 0.00e+00 1.440343e-03 3.996760e-04 1.235217e-03 -6.000000e+00 1.140317e-02 274.15 -2.00 20.00 -2.00 320.63 0.00e+00 4.357 0.001 302.00 328.00 3 3.9854e-01 2.8904e-03 5.6523e-02 -6.0000e+00 6.5725e-01 9.7726e-02 4.0543e-03 3.8932e-02 -6.0000e+00 7.1437e-01 -1.1364e-01 4.4862e-03 2.0654e-02 -6.0000e+00 4.2424e-01 3.3611e-02 2.1780e-03 6.8713e-03 -6.0000e+00 1.8125e-01 2.3409e-03 -1.0790e-03 4.7152e-05 7.6677e-05 -6.0000e+00 1.2858e-02 -2.6011e-02 0.0000e+00 11 8 0 10 0 0 90.72 18.96 0.36 -0.02601 -0.03412 386 119 1 5 0 118.760 22.40 15.00 18.96 5.55 28.4 929.08 -163759 -142035 -131250 -173865 -147906 -170447 -142659 -164004 -110760 -137703 -116570 -126989 -75615 -76432 -66616 -47326 -48564 -30816 -38796 -21066 -28784 -33328 -42743 -18262 -32820 -29458 -35569 -28870 -32909 -22763 -23719 -12964 -2748 -7114 -15169 -11809 -7965 -10209 -1447 -1675 1322 -276 2911 1177 2699 68 1771 -253 897 1812 2569 2864 2902 3612 3579 3922 2386 2596 1197 1686 801 2757 3067 3425 1492 781 331 109 1535 1315 2032 1404 1502 718 370 -910 -1662 -2732 -1496 -1246 -922 -1217 -1956 -1467 -663 15 634 1030 1037 1144 302 -322 -863 -761 -968 -546 294 648 -95 -207 -540 -668 17 -154 -1279 -1014 -648 -325 411 73 68 16 443 7 94 158 -51 -61 -232 -225 -3 581 487 310 48 -526 349 741 301 260 162 195 -89 80 -231 -319 175 -60 -89 164 -56 -395 -1065 -881 -794 -1577 -962 -1392 -971 -1587 -720 -1291 -952 -1344 -617 -821 -826 -645 -767 -456 -678 -326 -493 -604 -910 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