File name: Pandora75s1_EssexMD_20240625_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240708T142922.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240625_L1_smca1c1d20221230p1-8.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: 20240625 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-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240625T103237.5Z 8942.439323 196 1 35.36 2 81.96 66.30 67.24 214.80 0.00 1 0.00 1 0 17 5.076e-01 2.296e-02 2.689e-01 6.815e-03 8.688182e-01 4.052934e-03 9.877240e-03 -6.000000e+00 3.143851e-01 232.84 -2.00 3.48 -2.00 321.76 0.00e+00 2.020006e-03 2.270716e-03 4.190725e-03 -6.000000e+00 1.384137e-02 288.64 -2.00 20.00 -2.00 321.23 0.00e+00 6.680 0.005 302.00 328.00 3 1.2348e+00 1.5403e-02 8.4311e-02 -6.0000e+00 7.8864e-01 8.3602e-01 2.0931e-02 5.4475e-02 -6.0000e+00 8.4664e-01 -1.1776e+00 1.7561e-02 2.7566e-02 -6.0000e+00 5.0432e-01 4.7337e-01 8.0333e-03 7.7006e-03 -6.0000e+00 2.1465e-01 7.7478e-05 -1.6164e-03 1.8929e-04 1.4187e-04 -6.0000e+00 1.5653e-02 -3.4347e-02 1.9624e-04 12 9 9 12 1 1 83.30 23.55 0.91 -0.03435 -0.04649 33 8 1 5 0 1039.850 26.32 20.00 23.55 27.62 4.3 1013.67 -68451 -89602 61058 -36626 -155858 -88948 -69663 -158625 -169584 -134002 -150094 24895 -120960 -65786 -83548 28599 -23136 -3555 156659 -38976 114686 151463 -1926 19786 724 50869 96202 48136 14729 -18931 30104 -14150 36095 57244 25262 201280 -45091 63731 40113 -11734 30289 19418 33090 53725 24704 107568 56597 38777 52560 34287 35124 13141 50587 61084 8753 17843 14198 21259 22455 20075 -1914 7448 -559 20295 16481 16763 10285 9168 16245 25527 5775 16060 8740 333 1763 5172 -5470 -6687 -610 -1844 -651 -10067 2508 2036 -602 -3258 4238 2884 5648 -1416 -1186 -5815 -2740 -5240 -4808 -2525 225 -1102 -1449 -1282 -1690 -4203 -2300 -1578 -1468 -3650 -1020 -2004 -2087 -138 1222 269 -210 -1268 581 137 264 -10 -363 792 523 2539 2846 908 2024 588 1583 1301 -181 174 864 -733 475 -608 -317 -77 1131 1131 94 -795 -722 -2041 -1034 -1894 406 -443 -5461 -1451 -926 -5366 -6761 -3886 -5259 165 -4165 -1629 -3028 397 -601 -82 1041 -1342 831 1006 -43 371 17 738 872 669 276 -526 600 -521 916 1369 806 1338 -2966 1609 1519 -873 1650 1252 1913 2535 1543 2931 2595 2190 2724 2301 2591 1345 3899 4587 1175 2265 1896 2599 2596 2294 -276 1059 -97 3223 2902 2974 1975 1876 3422 5547 1673 4354 2497 96 455 1158 -1290 -1657 -162 -593 -245 -4797 1168 1023 -331 -1948 2453 1728 3273 -848 -667 -3261 -1482 -3102 -3243 -1784 182 -1043 -1499 -1336 -1673 -3877 -1915 -1292 -1263 -3409 -993 -2155 -2520 -186 1682 403 -325 -1956 854 198 388 -15 -589 1298 844 3851 4139 1418 3019 867 2314 2051 -303 332 1829 -1586 1090 -1511 -841 -197 2939 2963 245 -2136 -1810 -4866 SS 20240625T104737.7Z 8942.449741 202 1 51.52 2 79.28 68.49 68.87 218.07 0.00 1 0.00 1 0 17 5.662e-01 1.005e-02 9.456e-02 2.349e-03 7.099048e-01 1.379798e-03 8.441842e-03 -6.000000e+00 3.506243e-01 232.84 -2.00 3.48 -2.00 321.49 0.00e+00 3.750530e-03 7.374321e-04 5.224572e-03 -6.000000e+00 1.543763e-02 288.64 -2.00 20.00 -2.00 320.93 0.00e+00 5.170 0.002 302.00 328.00 3 6.4137e-01 5.0176e-03 6.8836e-02 -6.0000e+00 8.7954e-01 1.7971e-01 7.1171e-03 5.0254e-02 -6.0000e+00 9.4427e-01 -2.6344e-01 6.9628e-03 2.5333e-02 -6.0000e+00 5.6247e-01 9.4328e-02 3.2336e-03 6.8432e-03 -6.0000e+00 2.3937e-01 7.4298e-04 -1.2433e-03 7.1612e-05 1.3023e-04 -6.0000e+00 1.7460e-02 -3.4355e-02 1.6036e-04 12 9 8 11 24 0 0.59 23.54 0.56 -0.03436 -0.04370 239 39 1 5 0 215.530 26.21 20.00 23.54 29.40 4.4 1026.27 -203423 -184529 -184946 -137447 -175130 -166051 -202645 -155996 -172367 -163343 -128394 -163483 -148707 -132338 -43921 -97936 -48870 -59478 -37838 -43221 -59374 -50132 -50888 -30229 -37529 -6662 -35084 -45332 -47186 -24847 -25122 -31223 -22650 -13690 -3828 -12285 5671 -6299 -2510 1053 4982 3540 2210 6193 813 6426 4904 7965 3460 6227 6065 7023 8847 6187 9519 6058 7400 2738 4986 2352 4625 3554 7261 3818 4834 2998 1523 4830 1809 4102 2569 3745 2398 936 -1197 -2425 -2489 -4324 -3223 -3123 -313 -1711 -1414 -1142 -360 101 1035 1642 1030 990 -695 -310 -1535 -1837 -2374 -717 307 349 359 -477 -1173 -2119 -1325 -1118 -1583 -1602 -804 -376 526 843 647 786 -91 -35 -714 -138 -130 254 577 491 787 928 1067 693 393 -467 -83 261 -84 -101 -466 -628 -482 -28 -111 195 383 576 229 -89 -420 -738 -1786 -1620 -1800 -916 -1604 -1348 -2489 -1331 -1938 -1836 -1096 -2246 -2198 -2149 -375 -1753 -621 -941 -528 -675 -1125 -877 -932 -485 -695 -96 -687 -972 -1031 -471 -565 -897 -693 -416 -105 -368 155 -227 -106 51 291 228 152 424 60 459 366 600 288 546 593 762 1041 816 1297 893 1107 429 748 359 714 608 1355 825 1097 695 360 1154 490 1234 864 1303 838 314 -376 -699 -679 -1231 -1018 -1163 -133 -841 -764 -660 -221 65 698 1129 711 659 -442 -186 -910 -1141 -1661 -572 282 364 404 -542 -1269 -2114 -1219 -1027 -1544 -1656 -878 -442 676 1209 932 1195 -141 -52 -1033 -212 -184 374 891 779 1234 1404 1712 1075 588 -682 -120 397 -144 -176 -897 -1301 -1058 -64 -276 506 1017 1543 610 -227 -1017 -1702 SS 20240625T105802.8Z 8942.456977 205 1 51.57 2 77.40 70.00 70.07 220.27 0.00 1 0.00 1 0 17 3.771e-01 1.131e-02 1.667e-02 8.322e-04 6.278108e-01 4.651966e-04 7.614625e-03 -6.000000e+00 2.335292e-01 232.84 -2.00 3.48 -2.00 320.23 0.00e+00 2.287702e-03 1.689111e-04 3.367928e-03 -6.000000e+00 1.028179e-02 288.65 -2.00 20.00 -2.00 319.54 0.00e+00 4.454 0.001 302.00 328.00 3 4.7518e-01 1.4006e-03 5.7563e-02 -6.0000e+00 5.8581e-01 8.8068e-02 1.7371e-03 3.8377e-02 -6.0000e+00 6.2891e-01 -1.5412e-01 1.5035e-03 1.7958e-02 -6.0000e+00 3.7462e-01 5.5977e-02 7.6073e-04 4.6217e-03 -6.0000e+00 1.5944e-01 1.9039e-03 -1.1713e-03 2.4456e-05 7.8333e-05 -6.0000e+00 1.1628e-02 -3.4469e-02 1.7682e-04 12 8 8 10 0 0 15.77 23.55 0.43 -0.03447 -0.04327 406 66 1 5 0 127.000 26.32 20.01 23.55 30.68 4.3 1035.62 -134503 -132675 -115873 -117568 -132858 -136113 -112086 -126839 -112535 -108362 -103698 -88477 -75195 -64893 -54050 -32263 -30894 -29344 -22248 -21052 -15037 -17804 -21243 -19378 -14584 -18889 -17201 -19538 -19916 -25207 -12400 -11318 -3817 -6088 -7353 -7761 -10508 -2861 -730 871 2141 2854 3661 4984 3698 4316 3635 2412 2895 2813 3612 4222 5081 5363 4236 3523 3168 2799 1763 1639 2145 3089 3231 3937 2870 1789 794 729 1678 2611 1968 1875 1690 294 -182 -1924 -2867 -3545 -2780 -2203 -1982 -2185 -1778 -1433 -848 -330 402 949 1007 562 104 -664 -1084 -1608 -1310 -541 147 240 11 -488 -1141 -1918 -1305 -950 -1202 -1117 -822 -199 665 945 936 627 325 -119 -217 -75 245 500 583 544 731 967 964 839 479 -167 -113 241 67 -75 -289 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