File name: Pandora75s1_EssexMD_20240610_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240611T051125.2Z 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_20240610_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: 20240610 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 20240610T103334.8Z 8927.439986 68 1 51.58 2 81.41 67.15 112.97 29.41 0.00 1 0.00 1 0 17 6.127e-01 1.826e-02 8.783e-02 2.750e-03 9.059853e-01 1.627935e-03 1.100265e-02 -6.000000e+00 3.791581e-01 232.66 -2.00 3.48 -2.00 321.69 0.00e+00 5.152698e-03 9.213458e-04 8.446792e-03 -6.000000e+00 1.660602e-02 287.22 -2.00 20.00 -2.00 321.19 0.00e+00 6.307 0.004 302.00 328.00 3 4.0668e-01 6.1202e-03 8.9878e-02 -6.0000e+00 9.5117e-01 6.2658e-01 8.6382e-03 7.2139e-02 -6.0000e+00 1.0216e+00 -9.0613e-01 8.0866e-03 3.5246e-02 -6.0000e+00 6.0807e-01 3.6832e-01 3.6956e-03 9.0220e-03 -6.0000e+00 2.5848e-01 2.4770e-04 -1.6138e-03 7.3437e-05 2.2808e-04 -6.0000e+00 1.8892e-02 -3.4480e-02 1.4769e-04 12 8 8 10 0 0 44.59 23.40 0.61 -0.03448 -0.04661 147 24 1 5 0 350.820 26.21 20.00 23.40 26.14 4.3 1005.92 -198250 -198532 -148612 -160941 -128384 -224878 -152811 -218799 -222829 -195835 -206838 -143714 -116844 -136449 -110687 -1983 -71737 -55136 21179 -56378 -21831 -37953 -42495 -56284 -38305 -30262 -31600 -28975 -43927 -76130 -24275 -37245 8927 -13707 -5178 12895 -25218 10819 19422 -6892 11471 16493 11006 31330 24161 33797 30956 20802 21642 20421 12762 16552 32398 33818 18552 20065 16306 21552 14226 10420 4991 5780 10576 17094 12673 11916 9111 9023 9571 15225 10203 9628 7800 3748 4903 716 -4329 -2829 -3122 -1496 -1209 -3079 353 262 283 784 2228 2134 1455 -469 -1044 -2916 -1983 -4499 -3866 -1615 -674 -801 -757 -1472 -2296 -2872 -2627 -2260 -2662 -2409 -1599 -1642 -204 389 548 162 -76 -450 -452 -486 132 411 467 1417 1638 2046 2321 1132 925 411 324 610 277 124 21 -281 -106 -50 -100 199 613 404 -47 -219 -986 -1390 -3141 -3726 -1811 -2158 -1127 -4824 -1602 -4693 -5323 -3771 -4689 -1962 -1538 -2860 -2293 -17 -1416 -1021 196 -1168 -319 -638 -756 -1207 -719 -592 -627 -544 -954 -2511 -579 -1238 218 -452 -154 315 -960 331 651 -355 554 814 599 1420 1185 1531 1486 1160 1282 1341 1016 1429 2641 2965 2020 2238 1924 2381 1629 1207 625 787 1571 2704 2260 2185 1761 1856 2176 3719 2875 2834 2292 1069 1249 171 -1040 -702 -896 -509 -488 -1466 164 131 151 440 1287 1260 860 -272 -574 -1560 -1051 -2625 -2581 -1250 -611 -772 -796 -1571 -2333 -2901 -2425 -2050 -2548 -2438 -1720 -1774 -245 531 778 250 -120 -710 -692 -730 200 650 773 2364 2665 3171 3441 1774 1402 611 483 903 471 243 43 -626 -238 -120 -257 531 1563 1040 -120 -564 -2378 -3153 SS 20240610T104804.9Z 8927.450057 73 1 51.61 2 78.81 69.26 111.62 32.56 0.00 1 0.00 1 0 17 5.863e-01 1.334e-02 2.690e-02 1.041e-03 7.437371e-01 5.931741e-04 9.182227e-03 -6.000000e+00 3.628312e-01 232.66 -2.00 3.48 -2.00 320.81 0.00e+00 3.815160e-03 2.613236e-04 5.554613e-03 -6.000000e+00 1.588981e-02 287.22 -2.00 20.00 -2.00 320.20 0.00e+00 4.970 0.002 302.00 328.00 3 2.2946e-01 1.9163e-03 6.8394e-02 -6.0000e+00 9.1021e-01 1.8632e-01 2.5308e-03 5.1369e-02 -6.0000e+00 9.7755e-01 -2.8079e-01 2.3667e-03 2.4351e-02 -6.0000e+00 5.8186e-01 1.0836e-01 1.1482e-03 6.0875e-03 -6.0000e+00 2.4738e-01 1.2908e-03 -1.2013e-03 2.9086e-05 1.4286e-04 -6.0000e+00 1.8075e-02 -3.5134e-02 1.7011e-04 12 8 8 10 0 0 23.24 23.40 0.51 -0.03513 -0.04416 372 61 1 5 0 138.730 26.11 20.00 23.40 27.27 4.3 1014.20 -216007 -188542 -182488 -177262 -178671 -193388 -184568 -196224 -175263 -161129 -166391 -143957 -129856 -107142 -95445 -58975 -63260 -56374 -45804 -48655 -33570 -45875 -39511 -40956 -43841 -28512 -37420 -31577 -38659 -41155 -22330 -23991 -10530 -11178 -10593 -10781 -12368 -4538 -296 174 3789 4055 4187 6826 4493 6277 5488 5554 6642 5130 5883 6470 8631 9515 6916 6999 5346 4700 3662 3001 2811 4840 6159 6522 4488 4037 2589 2091 2953 3992 3432 3053 2570 515 -219 -1619 -3053 -3927 -3097 -2002 -1799 -2315 -1525 -1580 -654 -149 594 874 1120 449 -109 -1123 -1919 -1815 -1732 -966 -203 202 -5 -784 -1455 -2163 -1458 -1224 -1541 -1533 -893 -389 387 814 908 549 189 -163 -319 -199 256 595 680 634 938 1231 1268 922 585 -46 8 167 31 -49 -269 -329 -387 -127 -82 83 415 453 58 -170 -586 -949 -3068 -2469 -2491 -2322 -2241 -2729 -2502 -3312 -2683 -2348 -3039 -2395 -2358 -2022 -2053 -1083 -1412 -1321 -1060 -1229 -753 -1178 -990 -1122 -1330 -784 -1154 -910 -1200 -1428 -766 -1013 -453 -527 -497 -508 -644 -256 -19 14 326 379 413 678 466 657 597 631 792 675 858 1055 1525 1822 1454 1539 1229 1086 836 682 662 1226 1748 1884 1409 1282 842 716 1107 1683 1602 1496 1253 242 -95 -644 -1167 -1557 -1372 -1039 -1004 -1487 -1073 -1193 -523 -117 482 725 924 360 -89 -879 -1486 -1472 -1458 -938 -212 239 -6 -948 -1790 -2444 -1515 -1266 -1685 -1775 -1095 -479 524 1154 1422 915 300 -270 -507 -307 397 959 1150 1036 1602 2021 2005 1407 861 -70 12 252 52 -89 -505 -664 -787 -275 -179 188 966 1067 134 -379 -1301 -2005 SS 20240610T105414.5Z 8927.454334 76 1 51.71 2 77.69 70.15 111.01 33.87 0.00 1 0.00 1 0 17 4.762e-01 1.228e-02 1.789e-02 7.917e-04 6.898786e-01 4.464176e-04 8.474650e-03 -6.000000e+00 2.947072e-01 232.66 -2.00 3.48 -2.00 320.46 0.00e+00 2.893729e-03 1.753880e-04 4.338689e-03 -6.000000e+00 1.290603e-02 287.23 -2.00 20.00 -2.00 319.82 0.00e+00 4.552 0.002 302.00 328.00 3 1.9632e-01 1.3694e-03 6.1513e-02 -6.0000e+00 7.3932e-01 1.2736e-01 1.7367e-03 4.4017e-02 -6.0000e+00 7.9399e-01 -2.0301e-01 1.5730e-03 2.0611e-02 -6.0000e+00 4.7260e-01 7.8146e-02 7.8481e-04 5.2443e-03 -6.0000e+00 2.0095e-01 2.1078e-03 -1.1316e-03 2.2542e-05 1.0473e-04 -6.0000e+00 1.4680e-02 -3.5441e-02 1.7782e-04 12 8 8 10 0 0 30.28 23.41 0.44 -0.03544 -0.04394 479 78 1 5 0 107.710 26.21 19.99 23.41 27.69 4.3 1016.84 -172362 -163360 -142114 -151917 -156151 -162168 -154642 -153662 -139772 -131608 -138433 -116910 -98297 -82271 -69311 -48918 -44702 -39236 -29387 -37298 -25995 -33861 -28737 -29063 -24597 -21672 -22760 -27732 -27450 -28438 -17619 -14746 -11044 -7069 -11697 -8818 -11740 -3845 -810 1517 3274 3119 4466 5310 5054 4629 4735 4043 4368 3958 4141 5110 5751 7179 4632 4986 3764 3470 2317 2806 2754 3405 4492 4442 3537 2086 1762 1115 2330 3150 2622 2448 1634 672 -396 -1879 -3125 -3263 -3119 -2175 -1735 -2049 -1756 -1454 -654 -346 541 992 839 485 101 -899 -1455 -1779 -1502 -763 46 188 -85 -600 -1312 -1915 -1382 -1023 -1367 -1369 -815 -270 515 1009 917 480 239 -93 -185 -75 329 508 645 629 664 1055 1196 990 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