File name: Pandora75s1_EssexMD_20240702_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240708T144348.9Z 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_20240702_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: 20240702 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 20240702T103524.4Z 8949.441255 156 1 16.24 2 81.96 66.81 46.23 95.60 0.00 1 0.00 1 0 17 5.203e-01 2.577e-02 3.093e-01 9.684e-03 8.242907e-01 5.773648e-03 9.572138e-03 -6.000000e+00 3.226953e-01 232.81 -2.00 3.48 -2.00 321.59 0.00e+00 -6.741882e-03 3.081565e-03 7.266727e-03 -6.000000e+00 1.463383e-02 289.30 -2.00 20.00 -2.00 321.02 0.00e+00 6.680 0.005 302.00 328.00 3 1.2717e+00 2.1409e-02 9.1816e-02 -6.0000e+00 8.0995e-01 7.5010e-01 2.8519e-02 7.7525e-02 -6.0000e+00 8.7035e-01 -1.1189e+00 2.2665e-02 2.6569e-02 -6.0000e+00 5.1835e-01 4.5699e-01 1.0443e-02 1.0710e-02 -6.0000e+00 2.2101e-01 8.2862e-05 -9.9895e-04 2.8031e-04 8.9147e-05 -6.0000e+00 1.6203e-02 -3.4274e-02 2.3463e-04 12 9 9 12 1 1 46.45 23.54 0.79 -0.03427 -0.04178 14 8 1 5 0 1082.360 26.32 20.01 23.54 26.17 4.4 1002.78 -128864 -85687 76484 900000 -113959 8257 51447 -160939 -137755 -129054 -95554 -46105 25698 -4974 -85139 167802 -36476 38417 57257 900000 150513 900000 -50239 -28238 -27298 -2724 201353 61027 27044 -92154 114469 -11783 19903 89389 7767 180275 -16412 169580 16893 5500 27375 56220 11994 71826 19809 56287 50669 29711 31277 31943 14164 23006 72321 52177 20601 -1809 25540 17003 23370 31268 556 17412 8502 19134 9817 11033 14399 7885 18885 22135 16225 10921 15845 -357 10739 -2036 -8523 -3488 -859 -3377 -3370 -10359 1223 807 129 186 2702 433 1370 -1023 -1141 -3292 -2366 -6450 -4685 -2485 -821 -879 -2508 -2272 -2775 -3987 -880 502 -4049 -3212 -595 -1391 -2631 525 192 540 477 -194 -171 -1117 -913 84 -101 2375 1568 3796 3590 452 637 -58 1056 2263 -49 615 676 -115 -271 -219 -198 403 963 632 -336 -137 -1095 -2251 -4643 -2205 722 900000 -3226 78 486 -7594 -5673 -5204 -2869 -910 287 -90 -4017 1584 -1314 692 884 900000 1420 900000 -2241 -1090 -1124 -91 1900 995 580 -6641 1296 -545 751 1772 337 1701 -945 1760 973 420 1886 3077 1041 3389 1533 2975 2821 2075 2243 2442 1430 2367 4982 4776 2761 -317 3495 2503 3088 3659 89 2514 1501 3377 2011 2239 2854 1756 4171 5369 4578 3381 4591 -114 2777 -538 -2268 -909 -246 -1173 -1377 -5220 608 433 75 114 1688 283 880 -648 -680 -1911 -1351 -4078 -3307 -1825 -693 -850 -2672 -2429 -2821 -3745 -743 417 -3724 -3111 -601 -1542 -3298 724 272 820 741 -299 -255 -1644 -1361 130 -164 3852 2525 5759 5263 661 898 -80 1574 3274 -83 1167 1316 -245 -619 -535 -481 1018 2477 1647 -870 -337 -2737 -5363 SS 20240702T105030.7Z 8949.451744 162 1 51.53 2 79.25 69.02 43.38 98.20 0.00 1 0.00 1 0 17 4.813e-01 1.236e-02 2.993e-02 1.233e-03 6.729948e-01 6.992662e-04 8.394197e-03 -6.000000e+00 2.979759e-01 232.81 -2.00 3.48 -2.00 320.67 0.00e+00 3.217883e-03 2.943078e-04 5.036857e-03 -6.000000e+00 1.315757e-02 289.30 -2.00 20.00 -2.00 320.01 0.00e+00 5.158 0.002 302.00 328.00 3 4.6068e-01 2.2259e-03 6.6813e-02 -6.0000e+00 7.4724e-01 1.4629e-01 2.8835e-03 4.6876e-02 -6.0000e+00 8.0217e-01 -2.2827e-01 2.6013e-03 2.1071e-02 -6.0000e+00 4.7804e-01 8.5245e-02 1.2802e-03 5.1043e-03 -6.0000e+00 2.0358e-01 9.4637e-04 -1.2121e-03 3.5969e-05 1.1020e-04 -6.0000e+00 1.4840e-02 -3.3621e-02 1.6921e-04 12 8 8 10 0 0 -4.10 23.53 0.51 -0.03362 -0.04273 277 45 1 5 0 186.000 26.21 20.00 23.53 27.81 4.4 1014.67 -192365 -158972 -145480 -139003 -171114 -143545 -168476 -143019 -153053 -125670 -134401 -107488 -100230 -106333 -68876 -46213 -37064 -40175 -16844 -34079 -12509 -34921 -30562 -28783 -19193 -18735 -24915 -22706 -34248 -39352 -21800 -20129 -9855 -6699 -10782 -6545 -11019 -3291 2397 -549 4232 2626 4041 5513 3542 4271 4256 4371 3222 3847 3732 5706 7037 8485 5916 3569 4281 3930 2185 2017 2499 3335 5079 4441 3747 2823 2436 857 2396 3811 2611 3281 2466 968 85 -1499 -3899 -3756 -3458 -1882 -1805 -2445 -1732 -1509 -292 -509 570 955 998 446 -1 -824 -1841 -1860 -1603 -536 202 592 -120 -619 -1429 -2322 -1488 -1418 -1355 -1428 -699 -433 572 906 951 585 235 -120 -190 -161 60 621 670 740 743 1147 1252 890 475 -142 87 125 114 -213 -274 -599 -338 -132 -153 109 484 423 81 -20 -569 -921 -3154 -2242 -1972 -1778 -2843 -1757 -2781 -2032 -2694 -1841 -2537 -1745 -1868 -2698 -1516 -984 -829 -1034 -375 -955 -292 -1033 -900 -896 -584 -599 -869 -764 -1289 -1675 -912 -987 -504 -359 -600 -350 -672 -218 182 -51 427 292 468 650 434 532 544 578 454 580 624 1046 1402 1815 1385 894 1094 1009 560 513 656 950 1604 1430 1283 974 844 314 949 1689 1289 1685 1267 479 39 -633 -1592 -1562 -1600 -1007 -1128 -1607 -1243 -1158 -237 -441 473 811 845 367 -1 -658 -1447 -1521 -1459 -515 223 686 -151 -781 -1719 -2580 -1647 -1574 -1478 -1653 -854 -570 764 1345 1452 945 382 -190 -288 -251 95 955 1085 1234 1230 1834 1931 1415 728 -213 129 194 185 -389 -516 -1210 -681 -282 -330 246 1117 989 189 -45 -1206 -1968 SS 20240702T110057.1Z 8949.458994 165 1 51.63 2 77.36 70.53 41.41 100.10 0.00 1 0.00 1 0 17 3.162e-01 1.060e-02 1.373e-02 7.501e-04 5.913163e-01 4.162814e-04 7.154191e-03 -6.000000e+00 1.957681e-01 232.81 -2.00 3.48 -2.00 320.05 0.00e+00 2.373614e-03 1.428543e-04 2.933683e-03 -6.000000e+00 8.644066e-03 289.30 -2.00 20.00 -2.00 319.32 0.00e+00 4.442 0.001 302.00 328.00 3 3.4004e-01 1.2353e-03 5.5771e-02 -6.0000e+00 4.9093e-01 7.3336e-02 1.5147e-03 3.5327e-02 -6.0000e+00 5.2701e-01 -1.2432e-01 1.2714e-03 1.6720e-02 -6.0000e+00 3.1406e-01 4.3937e-02 6.4963e-04 4.3472e-03 -6.0000e+00 1.3376e-01 2.3018e-03 -1.1786e-03 2.2319e-05 7.0438e-05 -6.0000e+00 9.7489e-03 -3.4005e-02 1.8378e-04 12 9 8 11 8 0 8.79 23.54 0.48 -0.03401 -0.04286 455 74 1 5 0 113.450 26.32 20.00 23.54 28.84 4.4 1021.69 -117702 -109335 -92461 -102419 -113612 -107860 -110015 -100969 -95528 -87080 -90494 -71598 -61856 -54606 -40594 -28027 -21905 -22803 -11979 -18549 -8974 -14694 -13611 -16182 -12604 -11735 -11872 -10306 -15778 -14448 -12457 -9142 -5707 -4300 -7067 -6560 -7428 -3588 201 -219 2928 2380 3136 3021 3192 3280 3081 2659 2510 1806 2267 3857 3515 4865 3166 2545 1961 1982 1488 1137 1729 2292 3568 3242 2659 1621 833 132 1513 2603 1789 1846 1137 327 -428 -1880 -3123 -3380 -3096 -1985 -1873 -2021 -1850 -1633 -862 -315 531 804 976 504 119 -567 -1075 -1365 -1200 -419 83 393 69 -344 -1227 -1787 -1240 -856 -1181 -1199 -750 -301 528 1002 920 594 359 -109 -132 -125 244 406 598 607 638 937 1009 746 437 -89 -62 135 107 -141 -229 -637 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