File name: Pandora81s1_StocktonIL_20241222_L2Fit_fout2c2d20240325p1-8.txt File generation date: 20250327T115654.7Z 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_20241222_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: 20241222 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 20241222T144706.3Z 9122.616045 322 1 55.45 2 79.22 136.09 58.47 237.14 0.00 1 0.00 1 0 25 3.770e-01 2.317e-02 2.018e-01 5.112e-03 6.420133e-01 2.705538e-03 7.378683e-03 -6.000000e+00 2.152455e-01 222.49 -2.00 3.52 -2.00 320.81 0.00e+00 1.204221e-03 1.070120e-03 7.433082e-04 -6.000000e+00 1.022248e-02 270.99 -2.00 20.00 -2.00 320.36 0.00e+00 5.152 0.002 302.00 328.00 3 3.9666e+00 8.2124e-03 5.7201e-02 -6.0000e+00 5.3488e-01 2.0911e-01 1.0670e-02 3.3587e-02 -6.0000e+00 5.8773e-01 -2.3974e-01 1.1049e-02 1.7535e-02 -6.0000e+00 3.4253e-01 9.2368e-02 5.5295e-03 5.3722e-03 -6.0000e+00 1.4363e-01 4.5778e-05 -1.0355e-03 1.4521e-04 6.9884e-05 -6.0000e+00 1.0522e-02 1.8361e-02 -2.3783e-04 12 9 8 11 32 0 99.79 26.22 1.12 0.01836 0.01058 36 3 1 5 0 1539.950 34.50 20.00 26.22 0.77 1.7 1022.40 -61308 -112241 -197835 -142185 900000 -10511 900000 900000 900000 79265 900000 -128288 78088 900000 -63546 64593 900000 -20538 103988 -52585 119147 -33424 -49474 900000 -18846 -53063 44552 -25843 41288 42931 67408 -43468 47073 81055 -4234 -68147 3436 -2910 -7193 7894 37794 1692 37124 1264 14850 -9206 -1947 7639 18440 20493 23117 22941 -4807 15651 14603 18940 11660 10207 -26173 5958 808 12858 8627 10879 4474 -4149 14535 7975 4975 -2163 1044 931 -4322 581 6542 1080 3577 -2804 -2023 -4407 -5807 -6608 278 418 -3127 -1865 2406 -1908 -1669 2110 1824 -605 -3619 -3450 4346 -846 3310 -155 1208 -2807 258 -1311 -818 2679 -2802 -322 -1011 -3615 -1579 724 295 299 869 1532 217 762 699 -2788 -850 1712 1926 -322 -243 1002 -480 1221 -745 2717 768 1601 1225 -664 -815 489 238 -592 -1700 29 335 -207 -811 551 52 -472 -1574 -6535 -2445 900000 -52 900000 900000 900000 395 900000 -3599 389 900000 -1993 643 900000 -572 880 -2199 890 -1165 -2192 900000 -713 -2932 909 -1016 843 983 1443 -3289 1617 1977 -230 -7327 207 -226 -713 782 3029 206 3271 160 1663 -1333 -267 989 2249 2662 3279 3597 -1084 3100 3060 3941 2646 2296 -8181 1343 203 3200 2546 3455 1530 -1497 4370 2691 1956 -1041 524 477 -2255 268 2559 402 1245 -1089 -898 -2371 -3335 -4317 182 290 -2407 -1501 1932 -1628 -1402 1617 1300 -416 -2504 -2521 3337 -792 3427 -173 1405 -3311 298 -1378 -795 2601 -3094 -364 -1220 -4416 -2081 1044 469 495 1416 2373 321 1080 1009 -4370 -1384 2795 3077 -506 -369 1444 -674 1623 -984 3679 1199 2772 2141 -1255 -1614 1014 528 -1287 -3803 65 738 -469 -1740 1101 102 SS 20241222T145212.7Z 9122.619592 325 1 39.67 2 78.57 137.08 59.27 238.27 0.00 1 0.00 1 0 17 2.516e-01 8.697e-03 9.986e-02 2.017e-03 6.152666e-01 1.017182e-03 7.089204e-03 -6.000000e+00 1.398734e-01 222.49 -2.00 3.52 -2.00 320.15 0.00e+00 1.632456e-03 3.375061e-04 4.106915e-04 -6.000000e+00 6.027248e-03 270.99 -2.00 20.00 -2.00 319.67 0.00e+00 4.883 0.002 302.00 328.00 3 2.5718e+00 2.9260e-03 5.4120e-02 -6.0000e+00 3.4475e-01 7.4464e-02 3.6049e-03 3.1514e-02 -6.0000e+00 3.7703e-01 -9.7707e-02 3.4906e-03 1.6354e-02 -6.0000e+00 2.2392e-01 3.2382e-02 1.8116e-03 5.2115e-03 -6.0000e+00 9.5188e-02 2.4948e-04 -1.0908e-03 5.4282e-05 5.7308e-05 -6.0000e+00 6.7770e-03 1.7066e-02 -1.2274e-04 12 9 1 12 1 1 99.93 26.22 0.32 0.01707 0.00887 76 10 1 5 0 514.970 34.50 20.00 26.22 0.86 1.7 1022.49 -68078 -104177 -120014 -97756 3571 -82290 -16057 116188 -66083 -59136 5932 -83177 -17267 34203 -52375 -23164 -22068 -23985 14832 -31126 -10833 -14648 -23167 16661 -11365 -30767 -9772 -17053 -12326 -11874 -2746 -18742 4864 3883 -9055 -21078 -6645 -3927 -1877 1410 5400 9263 2761 -398 1344 -1221 -110 799 2674 5192 5341 5121 522 4514 3686 4748 1496 1402 -6523 1053 1498 2410 2620 3097 1948 -199 2644 1228 725 580 1026 0 -681 -275 -35 -1509 -1115 -1955 124 -1795 -1730 -2798 -955 -1126 -1676 -45 593 206 184 773 590 146 -550 -385 912 -226 885 125 463 -424 -495 -825 -664 208 -1134 -787 -778 -667 -171 255 347 -2 415 446 279 22 290 -310 -211 177 380 423 295 330 -9 276 5 1060 475 400 320 -243 -387 133 1 -392 -230 -111 139 -80 -135 76 -334 -696 -1701 -2337 -1404 18 -1004 -114 251 -988 -872 49 -2029 -279 417 -1865 -711 -742 -901 403 -1396 -398 -571 -1066 564 -545 -1876 -479 -862 -604 -659 -166 -1559 362 294 -743 -2040 -639 -446 -256 218 881 1543 511 -77 260 -247 -22 168 579 1083 1247 1326 155 1388 1199 1588 526 485 -2370 354 530 945 1069 1387 894 -90 1166 575 385 353 620 0 -417 -169 -20 -767 -538 -989 71 -1135 -1266 -2170 -784 -980 -1573 -45 563 200 177 702 534 124 -458 -337 831 -241 1006 152 599 -540 -621 -935 -744 239 -1332 -968 -1013 -877 -246 384 543 -3 667 685 426 33 433 -488 -333 288 607 687 464 499 -14 409 7 1509 767 683 566 -457 -727 264 3 -834 -498 -232 302 -168 -278 147 -635 SS 20241222T145614.8Z 9122.622393 328 1 33.50 2 78.06 137.87 59.90 239.15 0.00 1 0.00 1 0 17 2.081e-01 7.408e-03 1.876e-02 1.070e-03 5.918519e-01 5.344002e-04 6.853321e-03 -6.000000e+00 1.157516e-01 222.49 -2.00 3.52 -2.00 319.68 0.00e+00 1.661338e-03 1.546120e-04 3.735654e-04 -6.000000e+00 4.983640e-03 270.99 -2.00 20.00 -2.00 319.20 0.00e+00 4.692 0.002 302.00 328.00 3 1.4966e+00 1.4924e-03 5.1891e-02 -6.0000e+00 2.8531e-01 3.8207e-02 1.7763e-03 2.9984e-02 -6.0000e+00 3.1196e-01 -7.1595e-02 1.5857e-03 1.5437e-02 -6.0000e+00 1.8527e-01 2.2572e-02 8.4044e-04 4.9859e-03 -6.0000e+00 7.8798e-02 8.9593e-04 -6.2709e-04 2.8575e-05 5.2904e-05 -6.0000e+00 5.6043e-03 1.5583e-02 -2.7327e-05 12 9 1 12 1 1 97.95 26.21 0.43 0.01558 0.01087 190 29 1 5 0 175.310 34.50 20.00 26.21 0.92 1.7 1023.39 -73775 -76368 -74425 -77906 -77801 -80890 -66736 -36910 -58401 -51850 -56765 -63829 -25792 -23747 -23850 -19381 -13143 -14093 -5815 -12830 -7681 -12481 -11756 -4371 -12616 -12369 -8989 -13777 -12331 -8429 -694 -4088 1472 -118 -6045 -8679 -2397 -954 1522 1059 2726 3162 2761 540 1235 184 864 502 1448 2439 3204 3971 1371 2904 2125 2294 786 1120 -1215 736 1731 1709 2305 2268 1209 729 542 303 519 861 1107 152 -52 -436 -622 -1104 -1737 -1744 -1601 -1514 -1162 -1751 -2038 -1227 -1041 -559 -256 172 415 711 631 496 -157 9 202 169 532 453 61 -449 -375 -630 -349 -384 -967 -936 -549 -724 -55 324 306 277 447 135 32 239 284 118 48 -85 171 209 324 403 193 294 560 825 425 428 121 -98 -172 -100 -112 -252 -34 -36 -104 -228 -80 -138 -232 -1194 -1411 -1375 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