File name: Pandora81s1_StocktonIL_20241029_L2Fit_fout2c2d20240325p1-8.txt File generation date: 20250327T115657.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Alexander Cede Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 81 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora81_OF_v3d20230613.txt Instrument calibration file used: Pandora81s1_CF_v2d20240325.txt Level 1 file used: Pandora81s1_StocktonIL_20241029_L1_smca1c2d20240325p1-8.txt Full location name: Stockton, Illinois EPA Castnet Site Short location name: StocktonIL Country of location: USA Location latitude [deg]: 42.2872 Location longitude [deg]: -89.9999 Location altitude [m]: 766 Local noon date: 20241029 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: OoB session based off of session 1 lab analysis First and last pixel inside fitting window: 197 339 Nominal wavelengths inside fitting window [nm]: 305.1283 305.2686 305.4090 305.5494 305.6897 305.8300 305.9703 306.1106 306.2509 306.3912 306.5315 306.6717 306.8120 306.9522 307.0924 307.2327 307.3729 307.5131 307.6532 307.7934 307.9336 308.0737 308.2139 308.3540 308.4941 308.6342 308.7743 308.9144 309.0544 309.1945 309.3345 309.4746 309.6146 309.7546 309.8946 310.0346 310.1746 310.3146 310.4545 310.5945 310.7344 310.8743 311.0142 311.1541 311.2940 311.4339 311.5738 311.7136 311.8535 311.9933 312.1331 312.2729 312.4128 312.5525 312.6923 312.8321 312.9718 313.1116 313.2513 313.3910 313.5307 313.6704 313.8101 313.9498 314.0895 314.2291 314.3688 314.5084 314.6480 314.7876 314.9272 315.0668 315.2064 315.3460 315.4855 315.6250 315.7646 315.9041 316.0436 316.1831 316.3226 316.4621 316.6015 316.7410 316.8804 317.0198 317.1592 317.2986 317.4380 317.5774 317.7168 317.8561 317.9955 318.1348 318.2742 318.4135 318.5528 318.6921 318.8313 318.9706 319.1099 319.2491 319.3883 319.5276 319.6668 319.8060 319.9452 320.0843 320.2235 320.3626 320.5018 320.6409 320.7800 320.9191 321.0582 321.1973 321.3364 321.4755 321.6145 321.7535 321.8926 322.0316 322.1706 322.3096 322.4486 322.5875 322.7265 322.8654 323.0044 323.1433 323.2822 323.4211 323.5600 323.6989 323.8377 323.9766 324.1154 324.2542 324.3931 324.5319 324.6707 324.8094 324.9482 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20241029T132210.8Z 9068.557069 146 1 54.59 2 81.97 116.89 54.86 134.69 0.00 1 0.00 1 0 25 4.509e-01 1.782e-02 2.093e-01 4.273e-03 6.679017e-01 2.334230e-03 7.524165e-03 -6.000000e+00 2.589201e-01 224.01 -2.00 3.52 -2.00 321.24 0.00e+00 -6.984704e-03 1.107988e-03 1.082475e-03 -6.000000e+00 1.244409e-02 277.02 -2.00 20.00 -2.00 320.73 0.00e+00 6.705 0.006 302.00 328.00 3 2.4853e+00 7.7816e-03 7.0237e-02 -6.0000e+00 6.4144e-01 4.4311e-02 1.1010e-02 3.6262e-02 -6.0000e+00 7.0162e-01 -1.7754e-01 1.1970e-02 2.1507e-02 -6.0000e+00 4.1292e-01 7.1558e-02 5.7110e-03 1.0507e-02 -6.0000e+00 1.7671e-01 5.9272e-05 -6.0425e-04 1.2473e-04 1.1354e-04 -6.0000e+00 1.2649e-02 1.0878e-02 2.6492e-05 12 8 8 10 0 0 36.52 26.60 0.88 0.01088 0.00634 58 5 1 5 0 940.980 34.75 19.99 26.60 24.86 0.8 988.78 -219332 900000 -112348 -186334 900000 -123628 900000 900000 -117955 -43918 900000 900000 -79122 900000 900000 900000 -52914 11984 58897 -76672 2075 900000 -46320 233494 152425 -8315 -58040 -63445 10180 900000 28224 9636 82760 -48479 -12308 -203 24017 -12341 -11372 11025 66580 35908 17116 -16112 1046 -9540 4750 16031 22086 -758 20942 1320 -5365 5043 4074 18928 3918 6101 -36930 7476 5377 8972 8645 4357 8845 -209 11945 -4143 7856 -1556 -600 2788 8687 -2684 4449 1635 -7307 -1926 -1539 -5604 -3685 -2469 2630 855 1662 -660 2954 -1277 -1796 4345 3435 1902 427 26 1163 -169 698 844 767 -705 -2844 -1694 -3623 1246 -1142 649 -1212 -3216 -2147 -964 435 -1193 1360 1380 455 1107 593 -1099 -1255 631 1397 186 -27 -108 -895 -40 2007 2187 980 819 989 -320 -529 -110 -346 -757 -134 288 238 30 -829 272 -195 -3233 900000 -637 -2043 900000 -748 900000 900000 -1115 -216 900000 900000 -867 900000 900000 900000 -924 120 392 -2072 26 900000 -1098 971 634 -183 -2075 -2242 169 900000 516 248 1170 -2600 -440 -7 729 -667 -766 710 2741 2135 1267 -1661 91 -932 409 1280 1754 -83 2090 179 -861 801 700 2967 738 1111 -9965 1271 975 1746 1923 1125 2236 -56 2886 -1246 2381 -598 -249 1157 3323 -1078 1507 514 -2397 -623 -569 -2563 -1755 -1327 1465 517 1074 -465 2103 -970 -1362 2956 2198 1170 262 17 850 -145 630 868 845 -776 -2983 -1586 -3500 1182 -1100 648 -1310 -3830 -2793 -1396 636 -1866 2075 2033 641 1621 817 -1617 -1964 1005 2176 283 -40 -154 -1240 -58 2760 3176 1510 1424 1884 -612 -1069 -237 -746 -1725 -310 676 556 68 -1894 581 -408 SS 20241029T133252.7Z 9068.564499 149 1 54.63 2 80.22 118.83 53.54 137.50 0.00 1 0.00 1 0 25 2.931e-01 9.151e-03 1.432e-01 2.092e-03 5.736869e-01 1.066200e-03 6.583246e-03 -6.000000e+00 1.641130e-01 224.01 -2.00 3.52 -2.00 320.35 0.00e+00 2.661276e-04 3.887026e-04 3.714561e-04 -6.000000e+00 7.195084e-03 277.01 -2.00 20.00 -2.00 319.81 0.00e+00 5.629 0.003 302.00 328.00 3 2.3203e+00 3.1714e-03 5.8960e-02 -6.0000e+00 4.0505e-01 2.2726e-02 3.9714e-03 2.9947e-02 -6.0000e+00 4.4188e-01 -9.9144e-02 3.8173e-03 1.5239e-02 -6.0000e+00 2.6305e-01 3.5714e-02 1.9444e-03 4.5162e-03 -6.0000e+00 1.1214e-01 1.8574e-04 -7.5374e-04 5.7970e-05 5.0865e-05 -6.0000e+00 7.8970e-03 1.1830e-02 -1.4330e-05 11 8 0 10 0 0 95.58 26.60 0.46 0.01183 0.00617 107 10 1 5 0 510.400 34.75 19.98 26.60 25.15 0.8 992.00 -110047 5089 -69467 -52224 4346 -131476 109122 174545 -91145 -53792 51158 -74329 -47853 95192 -10076 -42 -45939 -1849 -9142 -39714 -3725 -11555 -11588 14771 4888 -12500 -15836 -22281 -7477 11798 -4508 -2988 12217 -20709 -6273 -6828 1385 -5101 -2163 2770 9213 8208 3673 -4085 -2474 -746 618 3724 -116 1960 5612 1926 586 2815 2459 4570 -189 1172 -10457 2477 1552 2741 3654 2200 3374 422 3087 -2142 2796 241 243 687 1565 -1047 1229 -725 -2953 -2570 -900 -2319 -1930 -1870 -803 -998 -103 -920 935 -83 215 1819 1358 823 186 -13 1014 -1 583 543 248 -293 -919 -960 -1814 -20 -1690 -443 -546 -1247 -578 -123 563 -185 514 504 66 259 239 -114 -238 -21 160 302 353 244 24 73 747 1229 521 273 484 -195 -107 157 -127 -585 -101 193 26 -54 -403 46 -270 -1572 28 -822 -479 21 -2629 223 356 -1785 -768 271 -1638 -1015 602 -222 -1 -1828 -52 -293 -1807 -119 -408 -444 479 188 -602 -782 -1118 -323 469 -249 -189 750 -1791 -447 -510 109 -521 -264 379 1299 1241 605 -736 -444 -134 111 670 -23 404 1248 492 150 764 705 1337 -59 359 -3495 726 484 941 1406 946 1452 180 1276 -973 1360 126 138 402 888 -573 652 -354 -1396 -1246 -488 -1377 -1321 -1446 -613 -810 -89 -855 894 -76 211 1677 1168 667 146 -11 928 -1 659 649 317 -370 -1087 -1101 -1958 -22 -2039 -520 -678 -1674 -790 -186 873 -301 822 770 101 381 357 -180 -375 -35 260 475 572 382 37 106 1044 1793 859 472 858 -368 -212 310 -270 -1246 -219 427 57 -115 -855 92 -530 SS 20241029T134016.0Z 9068.569630 153 1 54.70 2 79.03 120.20 52.68 139.50 0.00 1 0.00 1 0 25 1.384e-01 7.204e-03 3.485e-02 1.553e-03 5.215687e-01 7.830000e-04 6.064058e-03 -6.000000e+00 7.747558e-02 224.01 -2.00 3.52 -2.00 319.85 0.00e+00 6.429165e-04 2.428160e-04 2.967066e-04 -6.000000e+00 3.396925e-03 277.01 -2.00 20.00 -2.00 319.26 0.00e+00 5.071 0.002 302.00 328.00 3 2.3570e+00 2.2463e-03 5.3169e-02 -6.0000e+00 1.9122e-01 -4.0121e-04 2.7048e-03 2.6985e-02 -6.0000e+00 2.0861e-01 -5.3610e-02 2.3935e-03 1.3559e-02 -6.0000e+00 1.2418e-01 1.5431e-02 1.2490e-03 4.0120e-03 -6.0000e+00 5.2939e-02 3.0421e-04 -6.9982e-04 4.3543e-05 4.5763e-05 -6.0000e+00 3.7285e-03 1.1909e-02 -3.1221e-05 11 8 0 10 0 0 99.69 26.60 0.54 0.01191 0.00665 139 13 1 5 0 393.470 34.75 20.01 26.60 25.52 0.8 994.13 -75173 15794 -56322 -25402 -19797 -73249 1103 -32624 -47423 -26866 -24306 -54033 -33422 18455 -9275 -4416 -14285 2383 -3794 -15306 4876 -5625 -3062 6748 2302 -3144 -10090 -15955 -6278 5441 -6342 -1739 2961 -10850 -3361 -6102 -4130 -2912 -2149 3202 4691 3541 748 -2974 -530 -810 1048 -147 318 -200 2200 512 -464 2692 2654 3227 150 867 -6030 1114 1488 2498 2812 2074 1881 548 1832 -1152 1402 335 658 591 1312 -248 517 -942 -2624 -1900 -1053 -1279 -1369 -1631 -1310 -939 -195 -788 286 629 6 1181 1124 512 -217 -31 676 -68 661 169 235 -127 -909 -592 -1351 66 -1087 -607 -781 -880 -372 73 618 -90 457 383 -34 249 91 -126 -93 -42 -32 199 371 214 -5 136 898 897 523 402 331 -104 -175 117 -152 -203 -66 20 -109 -83 -323 -92 -157 -1435 134 -998 -304 -210 -1387 11 -534 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