File name: Pandora81s1_StocktonIL_20250326_L2Fit_fout2c2d20240325p1-8.txt File generation date: 20250327T115710.6Z 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_v4d20230613.txt Instrument calibration file used: Pandora81s1_CF_v2d20240325.txt Level 1 file used: Pandora81s1_StocktonIL_20250326_L1_smca1c2d20240325p1-8.txt Full location name: CASTNET Site STK138 Short location name: StocktonIL Country of location: United States Location latitude [deg]: 42.2872 Location longitude [deg]: -90.0000 Location altitude [m]: 281 Local noon date: 20250326 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 20250326T125608.6Z 9216.538988 93 1 54.99 2 79.03 96.77 69.84 137.28 0.00 1 0.00 1 0 25 5.985e-01 2.055e-02 2.203e-01 3.728e-03 8.500600e-01 2.013252e-03 9.621321e-03 -6.000000e+00 3.422160e-01 226.72 -2.00 3.53 -2.00 321.33 0.00e+00 3.790886e-03 9.324227e-04 1.541857e-03 -6.000000e+00 1.476262e-02 275.64 -2.00 20.00 -2.00 320.86 0.00e+00 5.070 0.002 302.00 328.00 3 2.9952e+00 6.5516e-03 6.7483e-02 -6.0000e+00 8.5307e-01 4.2231e-01 9.1978e-03 4.7446e-02 -6.0000e+00 9.3083e-01 -5.9159e-01 9.8409e-03 2.3806e-02 -6.0000e+00 5.4752e-01 2.4827e-01 4.6810e-03 7.7809e-03 -6.0000e+00 2.2999e-01 7.4712e-05 -3.2304e-03 9.3719e-05 9.1524e-05 -6.0000e+00 1.6680e-02 1.7345e-02 -3.8435e-04 12 8 8 10 0 0 99.99 26.55 0.53 0.01734 -0.00693 85 8 1 5 0 646.770 34.75 19.94 26.55 9.63 1.7 971.91 -238236 -254846 -195203 -218153 -199568 -246065 900000 900000 -9859 -135262 61776 -167478 79059 900000 18761 -29587 46219 60235 116320 -20284 1000 900000 -33050 170841 -46543 -63182 48253 -104966 -2478 17032 -37000 -21619 97840 -5390 -14413 -32406 36908 14208 14386 29995 74741 45788 77879 26703 29575 23942 12574 -327 31541 18161 10026 25170 13005 12956 13823 41267 6307 1217 -23835 6457 8239 10787 7224 9333 5052 4107 15554 3874 4169 7297 7682 4865 3524 -644 5589 -603 -9969 -638 -2149 -4102 -3593 136 1959 -1824 -3020 3318 730 -415 -539 3420 2376 -709 -3496 -3892 -192 -3742 373 -248 -133 -1187 -1347 -2966 -2041 659 -1731 -1622 -1946 -1916 -3168 -1030 649 -40 523 150 -143 455 859 6 167 121 1984 907 602 1322 -595 1567 1594 1651 1253 999 1349 298 -117 190 -399 -654 -500 -124 -166 -259 -453 76 -1001 -5665 -7911 -3352 -4251 -2966 -5932 900000 900000 -36 -1474 224 -3429 287 900000 143 -430 353 438 507 -354 14 900000 -684 621 -1251 -2066 508 -4919 -43 291 -1358 -817 1280 -200 -550 -1519 979 568 700 1460 2552 2212 2829 1630 1773 1557 950 -30 2246 1636 1114 2688 1724 1869 2079 4887 1072 211 -5074 997 1314 1893 1525 2183 1283 1044 3622 1082 1319 2563 2902 1925 1356 -237 1722 -178 -3129 -196 -790 -1691 -1737 73 1121 -1148 -2049 2231 523 -305 -392 2272 1483 -434 -2193 -2653 -146 -3211 361 -279 -161 -1432 -1506 -2990 -1846 587 -1691 -1662 -2126 -2278 -3950 -1442 1006 -67 816 246 -225 690 1318 10 263 195 3273 1434 916 1924 -850 2120 2110 2341 2066 1759 2634 592 -248 428 -909 -1562 -1207 -300 -399 -586 -1016 158 -2012 SS 20250326T130450.9Z 9216.545034 99 1 43.28 2 77.44 98.27 68.77 139.13 0.00 1 0.00 1 0 17 4.797e-01 1.024e-02 7.255e-02 1.964e-03 7.637482e-01 1.026270e-03 8.610356e-03 -6.000000e+00 2.725553e-01 226.72 -2.00 3.53 -2.00 320.63 0.00e+00 2.794524e-03 4.066192e-04 5.673289e-04 -6.000000e+00 1.176965e-02 275.64 -2.00 20.00 -2.00 320.13 0.00e+00 4.472 0.002 302.00 328.00 3 2.4748e+00 3.0832e-03 5.9042e-02 -6.0000e+00 6.7862e-01 1.4652e-01 4.0741e-03 4.0389e-02 -6.0000e+00 7.3966e-01 -1.7786e-01 4.2872e-03 2.1256e-02 -6.0000e+00 4.3710e-01 6.4057e-02 2.1326e-03 7.4293e-03 -6.0000e+00 1.8442e-01 2.4663e-04 -1.0999e-03 4.9087e-05 7.5965e-05 -6.0000e+00 1.3076e-02 1.2424e-02 -4.0065e-05 12 9 9 12 1 1 99.99 26.51 0.43 0.01242 0.00416 94 11 1 5 0 455.380 34.75 20.04 26.51 9.83 1.7 973.17 -170261 -197855 -194135 -179790 -178863 -199312 -80368 900000 -109909 -136448 -117025 -146644 -30446 16060 -71896 -63950 -22164 -20435 -15331 -32821 -39685 -10355 -28345 5906 -29030 -42431 -15481 -70007 -42211 -20578 -26677 -24057 15649 -7551 -19506 -19304 4008 -6110 3878 1048 13265 7247 11525 2481 -33 5905 2224 -2671 5155 1295 4104 6537 2092 4936 5080 9757 2218 81 -7567 824 1960 3533 2297 3525 2254 1237 2981 489 938 1681 3062 1787 808 -215 328 -1931 -2936 -1979 -1551 -2087 -1650 -986 -1323 -1623 -1337 230 197 -35 415 1023 1264 354 -747 -890 426 -695 838 227 298 -346 -905 -799 -1027 248 -1206 -1192 -1124 -608 -685 -171 631 93 352 458 30 300 378 76 -35 -135 491 271 186 381 14 813 459 807 571 406 362 284 -310 -110 -255 -512 -59 71 -152 -285 -156 264 -318 -1541 -2687 -2636 -2169 -2021 -2901 -400 900000 -947 -1646 -1277 -2696 -233 101 -1390 -1359 -352 -356 -273 -729 -950 -188 -673 110 -823 -1446 -403 -3056 -1447 -670 -1149 -1216 614 -383 -1065 -1094 206 -424 301 99 1229 763 1218 292 -4 707 287 -383 731 211 740 1291 433 1084 1179 2254 564 21 -2008 199 494 989 752 1284 861 471 1135 202 403 822 1602 970 429 -107 145 -859 -1271 -898 -750 -1217 -1037 -704 -1030 -1342 -1094 196 175 -32 371 863 988 284 -597 -707 384 -691 898 281 372 -453 -1105 -927 -1089 265 -1398 -1359 -1358 -790 -931 -248 1011 150 568 714 46 454 578 123 -56 -222 783 435 289 566 21 1180 651 1215 932 713 668 536 -620 -224 -555 -1117 -130 159 -337 -628 -320 530 -618 SS 20250326T131007.3Z 9216.548696 102 1 54.27 2 76.47 99.19 68.14 140.27 0.00 1 0.00 1 0 25 4.037e-01 1.003e-02 1.573e-02 7.378e-04 7.154505e-01 3.790131e-04 8.215270e-03 -6.000000e+00 2.282643e-01 226.72 -2.00 3.53 -2.00 320.11 0.00e+00 2.442341e-03 1.273063e-04 6.501552e-04 -6.000000e+00 9.854180e-03 275.64 -2.00 20.00 -2.00 319.58 0.00e+00 4.174 0.001 302.00 328.00 3 1.2527e+00 1.0949e-03 5.5057e-02 -6.0000e+00 5.6712e-01 9.3611e-02 1.3513e-03 3.7273e-02 -6.0000e+00 6.1768e-01 -1.3752e-01 1.2874e-03 1.9231e-02 -6.0000e+00 3.6664e-01 5.1535e-02 6.6282e-04 6.2728e-03 -6.0000e+00 1.5518e-01 1.1774e-03 -1.0628e-03 1.8602e-05 6.7737e-05 -6.0000e+00 1.0884e-02 1.2447e-02 -5.7715e-05 12 8 8 10 0 0 99.78 26.51 0.40 0.01245 0.00446 472 44 1 5 0 114.950 34.75 20.02 26.51 9.99 1.7 976.04 -153103 -151038 -136880 -140845 -145597 -148510 -112419 -104652 -111835 -114319 -102446 -113973 -69835 -54418 -51253 -37296 -29262 -28969 -19195 -29998 -22692 -24443 -24914 -17904 -22681 -25567 -17838 -28200 -24755 -17208 -13371 -8524 -2278 -7038 -8575 -9700 -5065 -2388 555 1672 3546 4508 3083 2647 2630 3008 3195 980 3043 3681 4291 5189 3914 4432 4255 4482 2596 1454 -9 1788 2394 2883 3274 3187 2328 1672 766 607 678 1341 1116 344 53 -564 -896 -1546 -2552 -2013 -1486 -1471 -1331 -1403 -2015 -1722 -1491 -600 -343 -43 240 392 619 97 -98 -172 0 -278 268 300 -2 -315 -545 -639 -657 -470 -1088 -1020 -934 -461 -180 51 467 287 348 207 216 399 303 243 8 0 171 330 533 471 365 521 753 819 548 394 185 153 -175 -108 -206 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