File name: Pandora75s1_EssexMD_20240620_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T095011.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240620_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20240620 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 on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20240620T103130.3Z 8937.438545 164 1 33.62 2 81.92 66.24 116.78 256.49 0.00 1 0.00 1 0 25 5.428e-01 2.132e-02 2.715e-01 8.187e-03 7.833452e-01 4.843533e-03 9.347900e-03 -6.000000e+00 3.350492e-01 232.86 -2.00 3.48 -2.00 321.77 0.00e+00 2.036177e-03 2.887577e-03 1.032282e-02 -6.000000e+00 1.696718e-02 288.18 -2.00 20.00 -2.00 321.21 0.00e+00 6.654 0.005 302.00 328.00 3 2.0224e+00 1.9234e-02 9.7889e-02 -6.0000e+00 8.4406e-01 4.5471e-01 2.6758e-02 8.6803e-02 -6.0000e+00 9.1510e-01 -6.7117e-01 2.4878e-02 2.8862e-02 -6.0000e+00 5.3991e-01 2.6355e-01 1.1279e-02 8.3004e-03 -6.0000e+00 2.2444e-01 4.3772e-05 -5.1285e-04 2.5085e-04 1.5110e-04 -6.0000e+00 1.7319e-02 4.0759e-03 -6.3521e-05 12 9 9 12 1 1 83.08 23.59 0.94 0.00408 0.00022 20 5 1 5 0 1600.770 26.32 20.00 23.59 31.46 4.2 1039.50 -236555 -136314 900000 900000 -182834 -191912 900000 -147686 -210995 900000 900000 25275 -71560 900000 900000 -142911 -56973 -13141 -56343 -125647 900000 900000 145124 900000 -21320 80669 -36009 -63281 -79071 900000 26741 -16620 900000 -12252 58157 68306 1434 54776 135298 66325 -5198 94994 31650 69938 -18458 11709 7480 13782 2984 10006 21859 -13718 55671 55869 30394 62106 14891 598 6757 -1266 21891 26563 10563 20846 16578 8844 11775 4981 15254 4809 7840 19505 1746 -3558 -2712 3407 3627 13506 1219 -5487 -4002 -382 -730 460 -5078 -528 -1629 1645 2460 -872 2076 -54 -1957 -3681 -4601 859 976 -2034 1122 -960 -2369 -3908 -3290 -2559 -4711 -4541 -2709 -1737 190 99 4503 586 -214 -355 87 1915 -1236 -8 -110 830 1089 1353 2160 589 -159 21 -94 1478 605 692 560 485 -810 -1635 -420 4 285 970 -305 696 -503 -714 -838 -5653 -1382 900000 900000 -2780 -3057 900000 -1711 -5042 900000 900000 201 -674 900000 900000 -5174 -990 -162 -1142 -5277 900000 900000 1156 900000 -371 643 -756 -1695 -2462 900000 405 -463 900000 -400 926 979 43 1134 1509 1743 -315 2270 1487 2284 -1470 700 477 856 219 741 1602 -1606 3592 3916 2929 4551 1791 82 850 -169 2389 3026 1599 3188 2813 1634 2138 1020 3123 1241 2155 4972 524 -1060 -730 782 789 2754 318 -1822 -1543 -163 -346 232 -2892 -305 -998 999 1478 -522 1138 -29 -1049 -2126 -3042 572 760 -1868 1082 -951 -2251 -3441 -2673 -2062 -4101 -4193 -2625 -1814 217 128 6202 821 -307 -501 128 2721 -1839 -11 -163 1255 1621 2116 3231 864 -227 29 -130 2155 924 1196 1076 1007 -1682 -3667 -995 10 722 2465 -775 1674 -1151 -1547 -1785 SS 20240620T104613.5Z 8937.448768 170 1 32.66 2 79.30 68.39 119.45 258.41 0.00 1 0.00 1 0 17 4.294e-01 1.340e-02 1.620e-01 4.254e-03 6.364773e-01 2.361430e-03 7.784273e-03 -6.000000e+00 2.618714e-01 232.86 -2.00 3.48 -2.00 320.89 0.00e+00 1.983673e-03 1.079114e-03 5.471749e-03 -6.000000e+00 1.205088e-02 288.18 -2.00 20.00 -2.00 320.23 0.00e+00 5.176 0.002 302.00 328.00 3 2.5913e+00 7.8148e-03 6.6980e-02 -6.0000e+00 6.5661e-01 6.7504e-02 1.0333e-02 4.8382e-02 -6.0000e+00 7.0905e-01 -1.3626e-01 9.5662e-03 2.0119e-02 -6.0000e+00 4.2282e-01 4.8999e-02 4.5919e-03 4.7033e-03 -6.0000e+00 1.7606e-01 1.2034e-04 -1.1469e-04 1.2877e-04 9.5861e-05 -6.0000e+00 1.3468e-02 2.7215e-03 1.0938e-05 12 9 9 12 1 1 88.27 23.58 0.66 0.00272 0.00186 25 7 1 5 0 1256.020 26.32 20.00 23.58 32.12 4.2 1043.52 -248090 -119587 900000 900000 -163965 -126346 55047 -152759 -189942 -106055 -69565 -70450 -49801 -91086 -7850 -80289 -43235 27028 -42507 -83046 25339 51307 -3135 -9011 -11561 16669 -50230 -46075 -56658 20488 -5145 -34461 15379 -14000 -7099 3291 -13313 213 20572 10100 -388 11903 14620 16920 -7172 11384 9452 4225 -1048 9725 6773 -2972 4398 15724 8262 13940 4355 717 -1577 -2664 1999 4797 3158 5666 1371 2675 592 1543 1515 2434 1464 5621 865 -3926 -452 -163 -1292 222 -2697 -3731 -804 -523 -2760 -1357 -703 340 -415 2568 767 584 -239 213 -929 -2340 -1062 766 852 -588 641 -413 -1133 -3031 -1073 -1864 -2245 -1719 -966 61 -287 762 1137 1082 -8 -314 -615 552 135 164 707 961 468 563 1391 1012 603 -118 -176 -203 550 -266 69 -735 -369 -107 -280 -113 53 638 203 347 -532 -388 -442 -5986 -947 900000 900000 -2102 -1096 228 -2073 -4225 -1120 -606 -701 -496 -1738 -81 -2064 -879 303 -1040 -3237 347 553 -61 -202 -288 332 -2000 -1739 -2373 425 -160 -1701 529 -697 -330 139 -729 12 1152 750 -36 1071 1352 1579 -869 1171 1015 494 -136 1214 963 -520 788 2739 1655 2764 979 168 -372 -631 468 1196 900 1746 464 890 200 537 579 951 636 2456 395 -1788 -202 -66 -498 86 -1187 -1764 -430 -317 -1882 -979 -540 276 -356 2200 669 492 -191 159 -683 -1805 -898 670 860 -681 789 -514 -1343 -3359 -1092 -1924 -2465 -1994 -1181 73 -380 1107 1799 1672 -13 -477 -962 827 205 260 1091 1530 747 872 2224 1565 899 -171 -253 -307 915 -462 130 -1394 -735 -226 -632 -249 121 1461 462 761 -1190 -825 -928 SS 20240620T105558.9Z 8937.455543 173 1 51.58 2 77.53 69.80 121.23 259.68 0.00 1 0.00 1 0 17 2.730e-01 9.095e-03 1.765e-02 8.252e-04 5.680290e-01 4.465967e-04 6.658089e-03 -6.000000e+00 1.664441e-01 232.86 -2.00 3.48 -2.00 320.16 0.00e+00 2.068866e-03 1.593872e-04 2.848044e-03 -6.000000e+00 7.411572e-03 288.18 -2.00 20.00 -2.00 319.42 0.00e+00 4.499 0.002 302.00 328.00 3 7.8429e-01 1.3543e-03 5.5275e-02 -6.0000e+00 4.1738e-01 1.4618e-02 1.6629e-03 3.3716e-02 -6.0000e+00 4.5073e-01 -6.9312e-02 1.3940e-03 1.6068e-02 -6.0000e+00 2.6853e-01 2.1239e-02 7.0180e-04 4.1218e-03 -6.0000e+00 1.1118e-01 1.5013e-03 -5.8228e-05 2.5081e-05 7.0771e-05 -6.0000e+00 8.4623e-03 2.6116e-03 -3.9901e-06 11 8 0 10 0 0 24.87 23.60 0.52 0.00261 0.00217 395 64 1 5 0 130.580 26.32 19.99 23.60 32.54 4.2 1047.35 -106008 -96275 -68260 -91775 -85798 -104329 -77863 -96987 -82792 -76048 -76287 -62258 -53438 -47710 -37845 -29809 -25005 -15830 -19786 -19262 -9138 -12877 -15807 -15864 -11546 -10168 -14183 -17160 -16771 -14143 -10061 -9722 -2777 -5870 -9674 -7760 -7434 -3008 -28 80 586 1597 1877 2190 1565 3328 1813 1188 1281 1566 2033 2399 2992 3743 2554 2623 1777 1322 266 879 1479 2482 3542 3212 2398 1383 440 370 1207 1938 1755 1648 1226 230 -689 -1763 -2549 -2615 -2540 -2046 -1627 -1680 -1813 -1577 -681 20 722 989 833 603 369 -352 -836 -1197 -889 -208 376 427 138 -527 -1288 -1719 -1189 -872 -1125 -1139 -616 -182 488 913 863 570 247 -246 -388 -211 76 420 475 483 553 845 836 769 516 -147 -140 44 89 -67 -435 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