File name: Pandora75s1_EssexMD_20241202_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241203T050310.7Z 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 v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241202_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: 20241202 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 20241202T130105.1Z 9102.542420 66 1 51.77 2 82.22 127.02 97.73 121.36 0.00 1 0.00 1 0 17 4.314e-01 2.214e-02 1.016e-01 3.932e-03 9.276220e-01 2.278951e-03 1.056763e-02 -6.000000e+00 2.572463e-01 223.29 -2.00 3.48 -2.00 321.86 0.00e+00 9.237717e-03 1.241477e-03 3.316710e-03 -6.000000e+00 1.132833e-02 279.81 -2.00 20.00 -2.00 321.42 0.00e+00 6.883 0.006 302.00 328.00 3 4.6985e-01 8.3541e-03 8.4982e-02 -6.0000e+00 6.3278e-01 9.3497e-01 1.1121e-02 5.1034e-02 -6.0000e+00 6.8548e-01 -1.3487e+00 9.9629e-03 2.9441e-02 -6.0000e+00 4.0920e-01 5.5522e-01 4.6587e-03 1.2841e-02 -6.0000e+00 1.7571e-01 1.3127e-04 -2.5363e-03 1.0635e-04 2.4070e-04 -6.0000e+00 1.3265e-02 -2.3627e-02 9.7213e-05 12 8 8 10 0 0 10.60 22.76 0.79 -0.02363 -0.04269 105 17 1 5 0 492.990 25.68 20.00 22.76 5.44 5.7 861.02 -179031 -112382 -49604 -61127 -116728 -140691 -113910 -136182 -145938 -133737 -140352 -103104 -67709 -77787 -55473 34711 3404 -37912 75845 33667 19480 44824 -19093 -4783 -12434 -11907 -19242 6840 4095 -37054 17331 9224 22834 19570 14213 67510 -18171 30013 16858 3209 23012 18995 30001 39565 37885 57472 46318 28149 42224 30723 26275 37920 48275 65006 26852 29750 18589 33073 22547 20769 8467 6377 14431 21374 14859 16992 16192 18013 19497 26225 12294 12517 9161 -164 4960 2691 -3739 -3792 -3315 850 -985 -5407 1868 681 -361 238 3027 2984 2508 -495 -2664 -7094 -2930 -7270 -5637 -2616 -1922 -275 -1258 -392 -1766 -3527 -2902 -3191 -2918 -3392 -2173 -1420 -905 -67 943 69 -379 -1284 -731 -697 -188 -58 170 1574 1609 2836 3608 2271 2239 39 1294 -868 222 753 703 -145 174 -301 5 465 679 387 -405 -251 -1135 -1787 -8008 -3212 -778 -1001 -2888 -3923 -2303 -3417 -4069 -3309 -3767 -2120 -1227 -2033 -1469 448 68 -1229 819 551 353 594 -466 -102 -286 -270 -456 119 73 -1098 362 254 629 645 474 1268 -836 955 711 178 1156 1049 1530 1851 1801 2269 2095 1597 2218 1967 1954 2791 3498 4287 2718 2988 2088 3119 2247 2038 961 812 1942 3048 2432 2775 2731 3163 3730 5289 3092 3225 2364 -43 1101 549 -780 -839 -849 253 -355 -2355 837 330 -188 130 1664 1670 1397 -273 -1413 -3767 -1503 -4228 -3407 -1832 -1588 -259 -1304 -405 -1741 -3190 -2379 -2586 -2474 -3064 -2085 -1491 -1072 -83 1316 105 -598 -2027 -1116 -1047 -286 -93 282 2606 2590 4301 5208 3209 3065 53 1766 -1321 387 1388 1456 -330 395 -737 12 1255 1865 1068 -1104 -643 -2723 -4342 SS 20241202T131201.7Z 9102.550020 69 1 51.77 2 80.55 128.95 96.01 122.92 0.00 1 0.00 1 0 17 5.698e-01 1.911e-02 1.865e-01 3.596e-03 8.235305e-01 2.051039e-03 1.019299e-02 -6.000000e+00 3.400071e-01 223.29 -2.00 3.48 -2.00 321.54 0.00e+00 1.100430e-02 1.068249e-03 6.561729e-03 -6.000000e+00 1.496586e-02 279.81 -2.00 20.00 -2.00 321.09 0.00e+00 5.801 0.003 302.00 328.00 3 1.4688e+00 7.1804e-03 7.6352e-02 -6.0000e+00 8.3636e-01 4.7132e-01 1.0148e-02 5.3023e-02 -6.0000e+00 9.0583e-01 -7.0674e-01 1.0231e-02 3.4114e-02 -6.0000e+00 5.4075e-01 2.9369e-01 4.7581e-03 1.4426e-02 -6.0000e+00 2.3232e-01 1.5507e-04 -1.7155e-03 1.0087e-04 2.8808e-04 -6.0000e+00 1.7517e-02 -2.4265e-02 2.3058e-04 12 8 8 10 0 0 95.94 22.77 0.63 -0.02426 -0.03716 120 20 1 5 0 431.380 25.68 19.99 22.77 6.54 5.7 868.64 -281876 -171574 -161493 4014 -209006 -102329 -99181 -182832 -204508 -146969 -186359 -136772 -17286 -132474 -91531 -23558 -13803 -39103 93621 13057 110047 38193 -21941 -28682 -51416 -31546 -40851 58807 -4362 -31885 8061 -9458 14801 -4601 4263 103633 -5260 31179 24464 -7886 27517 6361 17567 37798 23638 29136 36207 24906 37463 35812 13092 29410 32161 36016 9684 17699 7535 11251 12003 9434 9456 5293 13138 10293 12648 12050 6419 7314 8729 12429 5118 8570 4424 -347 1786 2573 -3078 -1549 -1652 -267 -1067 -4716 164 299 -1200 -1594 1612 779 750 -205 -1849 -4187 -3055 -5000 -3772 -1108 -603 262 -191 -1178 -1082 -2794 -1705 -2189 -1780 -2507 -1633 -1037 -144 327 1264 317 68 -700 -446 -259 -145 379 29 1198 1350 1880 2549 1495 1806 -439 642 -1071 564 557 379 -183 85 -437 -209 124 442 438 -265 -34 -750 -1320 -11051 -2680 -2471 14 -4597 -718 -664 -2914 -4237 -1780 -3505 -1787 -88 -2871 -1721 -278 -172 -698 477 154 491 341 -357 -512 -1180 -603 -859 495 -70 -760 158 -272 389 -158 132 1163 -186 875 866 -451 1235 379 986 1789 1318 1583 1904 1546 2194 2323 1189 2537 2966 3460 1277 2215 1054 1491 1528 1214 1263 817 2151 1967 2532 2463 1413 1682 2185 3390 1638 2741 1441 -111 504 650 -788 -410 -504 -97 -460 -2424 88 172 -679 -957 977 487 465 -123 -1171 -2585 -1855 -3310 -2570 -868 -554 274 -217 -1358 -1172 -2784 -1543 -1974 -1681 -2526 -1746 -1206 -170 439 1879 508 111 -1133 -695 -393 -223 607 48 2027 2230 2961 3832 2189 2543 -615 893 -1635 967 1003 760 -399 197 -1013 -514 316 1148 1143 -685 -83 -1725 -3092 SS 20241202T132147.5Z 9102.556800 75 1 40.28 2 79.10 130.71 94.50 124.33 0.00 1 0.00 1 0 17 5.669e-01 1.481e-02 3.293e-02 1.387e-03 7.379625e-01 7.615059e-04 8.981545e-03 -6.000000e+00 3.382586e-01 223.29 -2.00 3.48 -2.00 320.79 0.00e+00 5.341491e-03 3.272151e-04 4.623092e-03 -6.000000e+00 1.488938e-02 279.81 -2.00 20.00 -2.00 320.28 0.00e+00 5.097 0.002 302.00 328.00 3 5.3636e-01 2.3946e-03 6.6080e-02 -6.0000e+00 8.3206e-01 1.9894e-01 3.1564e-03 4.5258e-02 -6.0000e+00 9.0121e-01 -3.2275e-01 3.0807e-03 2.5290e-02 -6.0000e+00 5.3798e-01 1.3096e-01 1.5077e-03 8.4162e-03 -6.0000e+00 2.3112e-01 8.7599e-04 -1.6009e-03 3.8498e-05 1.6076e-04 -6.0000e+00 1.7430e-02 -2.5574e-02 1.5554e-04 12 9 9 12 1 1 64.95 22.77 0.49 -0.02557 -0.03760 190 40 1 5 0 210.860 25.68 20.00 22.77 6.95 5.6 869.79 -237889 -167048 -186480 -153880 -194447 -177757 -163489 -182274 -171035 -173282 -171760 -142250 -93296 -104122 -87475 -59031 -45977 -46274 -29110 -26969 -33142 -33891 -39283 -38450 -46679 -20849 -35912 -34489 -35235 -44646 -15133 -16189 -2967 -11577 -6342 -7485 -12765 -3085 2026 189 4216 6687 5290 8425 6861 10449 6746 7775 9941 8341 8255 10291 11053 10401 8757 5348 5296 4769 3914 2597 4493 4281 6943 7146 5191 4242 2181 2875 3150 5294 2962 3439 2032 553 121 -1922 -3611 -4512 -3581 -2519 -1626 -2390 -1424 -1656 -849 -376 344 995 375 491 -564 -1278 -1919 -2238 -2158 -1113 61 266 -97 -361 -1334 -2239 -1260 -1636 -1693 -1477 -1263 -512 402 936 815 491 360 -227 -268 -154 363 456 515 725 1006 1238 1446 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