File name: Pandora187s1_PittsburghPA_20220207_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T082352.5Z 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_20220207_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: 20220207 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 20220207T130629.0Z 8073.546170 64 1 46.49 2 83.22 116.66 117.02 42.95 0.00 1 0.00 1 0 17 7.089e-01 3.873e-02 5.030e-01 2.776e-02 9.547727e-01 1.699097e-02 1.033478e-02 -6.000000e+00 4.212859e-01 224.51 -2.00 3.49 -2.00 322.31 0.00e+00 -1.785828e-02 9.011356e-03 3.348199e-03 -6.000000e+00 2.201797e-02 274.04 -2.00 20.00 -2.00 321.88 0.00e+00 7.742 0.008 302.00 328.00 3 1.4163e+00 6.3474e-02 9.6887e-02 -6.0000e+00 1.0528e+00 1.1860e+00 8.5430e-02 7.5523e-02 -6.0000e+00 1.1595e+00 -1.6373e+00 7.5237e-02 3.0363e-02 -6.0000e+00 6.8372e-01 6.5558e-01 3.5865e-02 1.6181e-02 -6.0000e+00 2.9488e-01 2.8524e-05 -9.2402e-04 8.2165e-04 2.1206e-04 -6.0000e+00 2.1590e-02 -1.3684e-02 -1.7585e-05 12 8 8 10 0 0 79.48 18.65 0.81 -0.01368 -0.02063 22 7 1 5 0 2112.880 21.98 14.99 18.65 1.00 13.7 904.39 900000 900000 900000 900000 -75251 -118149 900000 81586 230441 900000 -138882 900000 -64888 900000 -97249 900000 57783 900000 -53497 900000 900000 -14877 123145 89475 900000 -58533 134837 16655 52357 900000 113083 9779 900000 900000 -4045 900000 900000 171426 69626 258014 11309 86920 88742 900000 102260 146916 83039 177505 32883 141822 245241 38357 56249 77814 168774 99975 165494 75892 150319 -5436 41589 8469 112013 20349 59912 -10734 39645 38629 24086 29514 36111 35448 23067 -6195 2254 -8256 -25773 23627 -16146 10169 -21446 16773 3035 -2239 9748 14040 12231 10154 9453 4927 6900 -1512 17466 -14060 855 -8928 -7987 -4832 -840 1068 -2640 -5902 -3507 2283 -12036 -2416 -8425 1447 -1654 -2120 -2541 3873 -1056 -165 -795 -1543 33 1250 3133 1882 317 4091 384 1676 -1900 2317 5217 1196 4094 -1579 -498 472 509 1680 1396 -948 -1354 -543 -968 317 -206 -1091 900000 900000 900000 900000 -2028 -4578 900000 2199 6211 900000 -10061 900000 -2733 900000 -7045 900000 1558 900000 -2704 900000 900000 -481 3319 2412 900000 -3997 3634 449 1411 900000 3048 334 900000 900000 -153 900000 900000 4621 2127 6955 772 2811 2905 900000 2756 3960 2398 4785 1709 3823 6610 2585 3465 4195 4549 4812 4461 4383 4052 -607 2963 929 4960 2468 4960 -1798 4198 4537 3756 4887 5910 5801 3997 -1288 378 -1399 -5210 3230 -3917 2271 -7721 4682 1052 -871 3566 5136 4663 3929 3549 1812 2351 -553 5582 -7038 436 -5930 -6136 -4038 -697 831 -1921 -3955 -2208 1433 -9293 -1796 -7218 1259 -1723 -2568 -3435 5153 -1483 -223 -1051 -2056 45 1773 4500 2682 436 5160 487 2039 -2330 2663 6148 1699 6622 -3070 -1052 1063 1155 4062 3576 -2537 -3670 -1444 -2628 784 -469 -2392 SS 20220207T131744.7Z 8073.553989 67 1 45.51 2 81.32 118.62 115.55 45.41 0.00 1 0.00 1 0 25 6.823e-01 1.180e-02 2.785e-01 6.365e-03 8.316088e-01 3.545071e-03 8.976366e-03 -6.000000e+00 3.893222e-01 224.52 -2.00 3.49 -2.00 321.85 0.00e+00 4.768467e-03 1.840826e-03 2.022276e-03 -6.000000e+00 1.681291e-02 274.04 -2.00 20.00 -2.00 321.41 0.00e+00 6.260 0.004 302.00 328.00 3 5.1894e-01 1.2280e-02 7.6191e-02 -6.0000e+00 9.6273e-01 3.7616e-01 1.8851e-02 5.0210e-02 -6.0000e+00 1.0489e+00 -4.9919e-01 2.1317e-02 2.5902e-02 -6.0000e+00 6.2306e-01 1.9417e-01 9.8409e-03 9.8432e-03 -6.0000e+00 2.6451e-01 3.2302e-04 -1.2294e-03 1.7554e-04 1.1101e-04 -6.0000e+00 1.9026e-02 -1.5355e-02 -1.5266e-05 12 8 8 10 0 0 72.80 18.61 0.58 -0.01536 -0.02459 106 33 1 5 0 429.320 21.98 15.02 18.61 1.85 13.7 910.49 -184865 -142841 -167662 -220500 -252396 -270929 -235673 -210758 -196063 -209979 -187036 -154652 -141687 -102928 -119101 -89267 -102103 -25631 -103213 -48237 -53435 -65580 -76880 -14803 -24638 -85575 -46912 -69535 -67941 -7050 -27814 -19952 39457 6423 -32611 -29381 12224 -9709 4690 8633 -138 4824 15455 31712 8517 17992 11217 8639 7220 13276 13963 8528 7579 8311 14448 11092 10675 12093 8293 7187 5632 7741 12536 6791 5272 2870 3600 3972 5989 2932 6430 4603 4420 -696 -298 -2955 -5122 -846 -864 36 -1452 -550 -887 -1204 24 789 1622 2873 1201 2118 -48 -587 -788 -3002 -1746 -1368 -503 -343 -621 -636 -909 -1424 -1147 -755 -2464 -1385 -1211 -640 182 215 -339 695 -30 -90 -25 -536 -110 -263 -9 668 836 967 845 1008 -77 -552 1196 335 690 296 127 645 239 155 -209 -474 193 -404 -165 413 -339 -740 -1147 -886 -1041 -2167 -3133 -4433 -2925 -2259 -1991 -2606 -2005 -1483 -1599 -1045 -1814 -1209 -1786 -231 -2155 -599 -693 -962 -1345 -150 -292 -1931 -715 -1295 -1303 -96 -587 -471 588 136 -971 -875 273 -325 166 343 -7 234 700 1240 428 849 592 499 457 882 1049 757 748 882 1515 1246 1212 1313 901 789 675 1038 1859 1189 962 536 693 828 1405 801 1804 1320 1204 -182 -69 -647 -1151 -203 -249 12 -592 -251 -437 -633 13 455 959 1687 697 1146 -25 -296 -412 -1805 -1222 -1128 -481 -367 -690 -675 -873 -1226 -945 -653 -2306 -1355 -1275 -743 217 293 -508 1065 -46 -132 -35 -760 -161 -407 -15 1053 1255 1385 1172 1481 -110 -777 1567 505 1201 581 272 1467 584 407 -532 -1237 507 -1063 -452 1047 -804 -1688 SS 20220207T133135.5Z 8073.563606 72 1 45.29 2 79.03 121.09 113.66 48.34 0.00 1 0.00 1 0 25 5.257e-01 7.730e-03 9.673e-02 2.378e-03 7.083551e-01 1.282341e-03 7.868480e-03 -6.000000e+00 2.999801e-01 224.52 -2.00 3.49 -2.00 321.29 0.00e+00 2.466577e-03 5.980475e-04 1.705534e-03 -6.000000e+00 1.295361e-02 274.04 -2.00 20.00 -2.00 320.83 0.00e+00 5.070 0.002 302.00 328.00 3 1.7065e-01 4.2451e-03 6.2251e-02 -6.0000e+00 7.4180e-01 1.2674e-01 5.9932e-03 4.0455e-02 -6.0000e+00 8.0819e-01 -1.6562e-01 6.5714e-03 2.0429e-02 -6.0000e+00 4.8006e-01 5.7695e-02 3.1380e-03 7.0950e-03 -6.0000e+00 2.0382e-01 1.5798e-03 -1.0277e-03 6.7487e-05 8.4243e-05 -6.0000e+00 1.4658e-02 -1.5799e-02 -5.8991e-06 11 8 0 10 0 0 48.05 18.67 0.36 -0.01580 -0.02352 296 91 1 5 0 152.970 21.98 15.00 18.67 3.41 13.9 922.61 -146267 -176529 -158721 -185752 -187910 -187391 -183292 -151779 -156125 -134792 -162999 -120890 -109833 -77992 -87446 -43243 -59206 -37056 -53020 -29698 -31467 -41732 -42435 -29491 -29165 -40844 -30736 -40594 -35553 -24879 -15546 -13791 -2793 -8205 -15182 -12746 -6185 -3897 -2596 1187 960 3940 3277 6260 1542 4304 1721 1173 30 3594 4196 4587 4840 4685 4409 3996 3754 3257 3528 1893 2978 3283 4509 3220 2349 838 565 706 1973 2045 2291 2064 1711 960 -331 -1190 -3356 -2313 -2197 -855 -1395 -1543 -1989 -1240 -496 353 840 1272 1273 1212 600 -684 -595 -1648 -949 -851 269 255 -76 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