File name: Pandora81s1_StocktonIL_20241030_L2Fit_fout2c2d20240325p1-8.txt File generation date: 20250327T115645.1Z 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_20241030_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: 20241030 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 20241030T135408.3Z 9069.579262 126 1 54.56 2 77.09 123.05 60.66 136.52 0.00 1 0.00 1 0 25 1.017e-01 7.868e-03 3.513e-02 1.998e-03 4.762238e-01 1.001005e-03 5.586315e-03 -6.000000e+00 5.691077e-02 223.92 -2.00 3.52 -2.00 319.62 0.00e+00 -6.510913e-04 2.873990e-04 2.297749e-04 -6.000000e+00 2.494441e-03 276.88 -2.00 20.00 -2.00 319.02 0.00e+00 4.362 0.001 302.00 328.00 3 3.4435e+00 2.8297e-03 4.6450e-02 -6.0000e+00 1.4044e-01 -2.0588e-02 3.3581e-03 2.4549e-02 -6.0000e+00 1.5322e-01 -2.3603e-02 2.8357e-03 1.2316e-02 -6.0000e+00 9.1210e-02 3.6234e-03 1.4930e-03 3.6134e-03 -6.0000e+00 3.8889e-02 1.9855e-04 -4.8688e-04 5.6820e-05 4.0793e-05 -6.0000e+00 2.7391e-03 1.1837e-02 1.2974e-06 11 8 0 10 0 0 99.92 26.58 0.44 0.01184 0.00818 74 7 1 5 0 737.100 34.75 19.93 26.58 26.17 0.8 966.11 -33303 5586 -25419 -47894 -14473 -50810 -14950 -12406 -29307 -23597 44492 -28867 -19115 27509 9488 7289 -12087 -3145 -2115 -15744 -1287 1698 -6664 11547 4571 -8180 -6048 -10524 -2605 10646 2152 1184 2925 -6816 -6608 -5828 -3295 -2384 -2970 1439 3549 786 1961 -3499 -74 -1479 -149 763 144 862 3486 67 -596 3480 1234 3667 240 749 -7497 1154 1610 2624 2470 1610 698 46 1367 -960 1921 -423 990 1301 1183 -795 1348 -958 -2238 -934 -499 -2236 -1826 -1944 -730 -979 216 -751 386 58 -221 1046 1039 703 719 -250 1001 364 650 207 485 -183 -933 -640 -1291 314 -1000 -612 -555 -1139 -436 -162 661 -246 607 248 235 318 -42 -218 -410 -223 112 347 222 -132 -122 406 820 1182 348 647 598 -81 -422 107 -89 -402 -17 91 -49 -65 -464 5 -157 -603 75 -470 -1017 -206 -1089 -253 -237 -742 -593 589 -917 -670 734 360 318 -692 -178 -125 -1116 -80 104 -479 758 345 -735 -524 -900 -202 784 198 125 338 -874 -801 -730 -461 -399 -613 302 796 191 488 -927 -19 -391 -39 201 39 247 1075 24 -227 1366 518 1559 108 331 -3508 494 722 1287 1242 886 387 24 698 -516 1122 -289 667 901 805 -565 855 -560 -1240 -517 -307 -1628 -1400 -1672 -666 -880 206 -773 412 64 -242 1076 989 625 655 -219 958 399 754 254 627 -233 -1189 -740 -1413 351 -1230 -790 -707 -1556 -639 -245 1070 -390 989 385 340 467 -63 -322 -647 -369 183 554 346 -197 -186 591 1146 1708 528 1075 1010 -145 -783 198 -177 -794 -34 187 -100 -130 -925 10 -291 SS 20241030T141257.2Z 9069.592329 132 1 54.83 2 74.24 126.73 58.48 141.19 0.00 1 0.00 1 0 25 3.193e-02 5.845e-03 5.753e-03 9.041e-04 3.982467e-01 4.486969e-04 4.747431e-03 -6.000000e+00 1.787270e-02 223.92 -2.00 3.52 -2.00 318.39 0.00e+00 4.242149e-04 8.787250e-05 1.736560e-04 -6.000000e+00 7.833599e-04 276.88 -2.00 20.00 -2.00 317.77 0.00e+00 3.619 0.001 302.00 328.00 3 2.8113e+00 1.2034e-03 3.8532e-02 -6.0000e+00 4.4105e-02 -2.6457e-02 1.3701e-03 2.0279e-02 -6.0000e+00 4.8118e-02 -2.0749e-02 9.4039e-04 1.0096e-02 -6.0000e+00 2.8644e-02 5.0308e-03 4.9643e-04 2.9198e-03 -6.0000e+00 1.2213e-02 7.7910e-04 -4.0577e-04 2.5512e-05 3.1717e-05 -6.0000e+00 8.6021e-04 1.1739e-02 2.2332e-06 10 0 0 10 0 0 99.92 26.57 0.36 0.01174 0.00869 163 15 1 5 0 336.300 34.75 20.07 26.57 26.32 0.7 967.78 -8115 -5312 -8028 -12183 -8022 -17600 -8507 -9591 -12710 -5786 -7817 -10919 -2957 3851 -48 332 -3663 1362 -920 -1221 614 -231 78 3048 365 -593 -2476 -3014 -1338 1264 582 1385 703 -2769 -3363 -3880 -2396 -841 -501 381 370 376 460 -706 -366 -219 -333 282 -263 626 1543 1002 882 1389 969 1659 537 417 -1311 860 1001 1867 2188 1053 650 293 196 -161 766 494 403 389 461 -231 -81 -716 -1292 -1317 -987 -1348 -955 -1371 -1734 -1286 -800 -664 -224 -80 173 639 576 494 505 653 365 293 514 472 191 -247 -606 -643 -692 -77 -908 -733 -547 -800 -66 217 542 74 410 151 6 332 229 153 -45 -65 -134 60 245 411 202 301 640 965 457 499 252 -40 -242 -32 -99 -333 45 14 -96 -197 -183 -237 -322 -374 -258 -400 -575 -336 -838 -413 -536 -810 -356 -502 -815 -244 354 -5 41 -454 171 -125 -172 86 -33 12 480 63 -107 -446 -512 -217 213 111 293 165 -670 -770 -926 -641 -243 -175 141 148 158 200 -312 -162 -97 -148 125 -118 292 780 513 485 808 548 961 320 246 -769 495 605 1228 1487 777 476 201 139 -109 570 396 350 329 405 -194 -62 -527 -889 -904 -745 -1108 -839 -1346 -1728 -1347 -853 -754 -253 -92 199 697 609 509 489 639 373 322 608 597 256 -323 -775 -787 -802 -93 -1140 -967 -726 -1081 -95 324 830 116 623 225 8 455 317 223 -67 -98 -205 93 369 619 290 414 881 1362 679 774 403 -64 -402 -55 -176 -605 84 26 -176 -363 -333 -415 -551 SS 20241030T142427.7Z 9069.600321 146 1 1.28 2 72.56 129.05 57.25 144.16 0.00 1 0.00 1 0 17 4.460e-02 1.047e-02 4.738e-02 9.365e-03 3.683660e-01 4.639116e-03 4.402770e-03 -6.000000e+00 2.497707e-02 223.92 -2.00 3.52 -2.00 318.01 0.00e+00 8.421190e-04 8.105081e-04 2.498302e-04 -6.000000e+00 1.094389e-03 276.88 -2.00 20.00 -2.00 317.39 0.00e+00 3.291 0.001 302.00 328.00 3 3.3292e+00 1.2346e-02 3.5178e-02 -6.0000e+00 6.1637e-02 -8.0977e-03 1.4005e-02 1.8670e-02 -6.0000e+00 6.7236e-02 -2.2146e-02 9.1208e-03 9.3140e-03 -6.0000e+00 4.0025e-02 6.2713e-03 4.7443e-03 2.7674e-03 -6.0000e+00 1.7072e-02 6.3289e-04 1.2326e-04 2.6443e-04 3.0150e-05 -6.0000e+00 1.2015e-03 1.0048e-02 5.3662e-05 12 9 9 12 1 1 999.00 26.57 0.47 0.01005 0.01097 1 8 1 5 0 634.600 34.75 20.04 26.57 26.58 0.7 969.28 16602 13741 -8388 -13064 -6553 4338 -13711 -30244 8298 7244 -9592 -461 -236 6082 -9445 -2854 -424 1301 10198 -1979 3499 -1200 -467 3824 1082 -871 -4469 -1008 -5494 2073 6175 3772 -1434 -5352 -4386 -2494 2377 -1252 -1895 -1663 -582 2311 -477 -143 -2373 1424 -4015 379 951 833 -182 2532 -1874 -643 4426 957 375 878 820 -24 1964 317 1886 2015 -2611 3246 2768 21 659 1022 703 -21 2362 -2517 943 1811 -1599 -2691 -435 747 206 -1773 -2699 -157 -1563 -904 -1071 -28 -251 -578 -97 1909 -147 354 47 930 -346 421 -53 -731 -1266 -379 597 -686 -1759 -289 -463 -281 740 -618 378 166 -72 359 702 37 96 -664 285 -8 560 677 369 619 -10 265 243 2380 -389 850 198 -304 255 -465 454 -592 450 448 -549 -270 -964 46 -562 849 778 -590 -871 -377 230 -964 -2845 584 529 -841 -41 -25 717 -1372 -426 -65 210 1575 -358 601 -217 -89 746 229 -195 -1013 -207 -1140 422 1343 933 -410 -1446 -1202 -694 655 -427 -726 -731 -273 1102 -224 -67 -1149 717 -1965 190 478 406 -97 1424 -1098 -395 2668 614 246 565 517 -15 1291 217 1402 1596 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