File name: Pandora75s1_EssexMD_20240619_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240708T140950.4Z 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_20240619_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: 20240619 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 20240619T103134.0Z 8936.438588 143 1 33.16 2 81.88 66.28 124.67 266.90 0.00 1 0.00 1 0 17 5.948e-01 2.591e-02 2.784e-01 9.369e-03 7.812376e-01 5.717699e-03 9.024418e-03 -6.000000e+00 3.765230e-01 232.87 -2.00 3.48 -2.00 321.67 0.00e+00 -2.047666e-03 3.178288e-03 5.908147e-03 -6.000000e+00 1.875187e-02 288.08 -2.00 20.00 -2.00 321.12 0.00e+00 6.621 0.005 302.00 328.00 3 1.9416e+00 2.2055e-02 8.6146e-02 -6.0000e+00 9.4321e-01 6.7467e-01 3.0558e-02 6.6307e-02 -6.0000e+00 1.0166e+00 -1.0394e+00 2.5987e-02 2.8063e-02 -6.0000e+00 6.0022e-01 4.2681e-01 1.1680e-02 7.0267e-03 -6.0000e+00 2.5333e-01 4.7632e-05 -1.2992e-03 2.9008e-04 1.0949e-04 -6.0000e+00 1.9034e-02 -3.3814e-02 1.2013e-04 12 9 9 12 1 1 81.48 23.58 1.16 -0.03381 -0.04358 18 5 1 5 0 1745.220 26.32 20.00 23.58 31.03 4.2 1036.84 -73120 -19692 13440 900000 900000 900000 900000 -136872 -150974 -147781 -99144 -78574 900000 -28775 -35905 324750 -15711 -3324 900000 40420 900000 900000 42377 -16068 600 286695 900000 128955 -34749 -93510 42351 -25658 92198 48254 148584 900000 -39434 157953 35046 -40819 25091 35213 8554 182190 26238 90919 41619 40514 49322 49945 9188 24136 98621 70252 10728 8276 7193 7691 30079 24453 -4751 14996 7611 10430 1883 14712 2461 19522 11097 5039 4776 13714 6102 -5932 9515 13884 3187 -2202 -306 -3456 800 -16005 2940 8071 3053 -2579 2223 3944 -1946 4293 -3582 -3285 3611 -6615 -3596 1524 253 -1077 -704 -1277 -4724 -5840 -851 -358 -3191 -2701 -3958 -753 -1535 321 1590 -722 -1301 997 1328 -1164 -150 504 -400 1639 361 2739 3110 -455 2054 -806 2127 1154 -791 1598 802 -896 299 -2028 -110 795 306 1964 139 229 -1548 -1856 -1278 -245 123 900000 900000 900000 900000 -4651 -6382 -6370 -2712 -1889 900000 -596 -952 2961 -430 -85 900000 704 900000 900000 703 -506 17 2614 900000 1176 -1267 -6356 842 -1170 1452 1240 1490 900000 -2451 1728 1566 -4162 1624 2183 710 2658 1794 3233 2429 2438 2833 3051 930 2333 4946 5060 1487 1222 1095 1150 3456 2876 -758 2119 1298 1921 398 2736 521 3649 2489 1360 1415 3864 1825 -1877 2342 2950 712 -534 -82 -1131 295 -7997 1343 3761 1600 -1519 1305 2330 -1213 2423 -2057 -1788 1814 -3896 -2328 1095 196 -964 -680 -1246 -4515 -5160 -732 -307 -2709 -2425 -3848 -772 -1767 410 2237 -1110 -2048 1505 1929 -1696 -220 768 -647 2670 589 4214 4604 -674 2868 -1127 2883 1689 -1335 2734 1532 -1883 664 -4929 -258 1939 770 4905 350 547 -3830 -4352 SS 20240619T104610.7Z 8936.448735 149 1 28.85 2 79.27 68.42 127.40 269.02 0.00 1 0.00 1 0 17 4.371e-01 1.298e-02 2.830e-01 7.757e-03 6.441921e-01 4.492040e-03 8.135702e-03 -6.000000e+00 2.707435e-01 232.87 -2.00 3.48 -2.00 321.28 0.00e+00 4.407704e-03 2.225226e-03 6.137862e-03 -6.000000e+00 1.189105e-02 288.08 -2.00 20.00 -2.00 320.70 0.00e+00 5.165 0.002 302.00 328.00 3 2.4416e+00 1.5613e-02 6.8498e-02 -6.0000e+00 6.7934e-01 1.9932e-01 2.1019e-02 5.1253e-02 -6.0000e+00 7.2938e-01 -3.0415e-01 1.9462e-02 2.3367e-02 -6.0000e+00 4.3430e-01 1.1960e-01 9.2492e-03 5.4654e-03 -6.0000e+00 1.8473e-01 1.3301e-04 -1.4715e-03 2.4138e-04 1.2541e-04 -6.0000e+00 1.3479e-02 -3.4319e-02 1.9146e-04 12 9 9 12 25 1 72.98 23.57 0.54 -0.03432 -0.04538 20 6 1 5 0 1373.500 26.32 20.00 23.57 31.98 4.2 1043.61 -219123 -129387 -146443 -174149 -108257 -153257 -6536 -107621 -46695 -162717 -43875 -116885 -31999 -109291 -55026 -68318 -4942 -28516 -42796 -37635 6952 81213 -25914 -34062 -33197 -46935 71224 -23452 13516 2254 -5825 -23454 61389 -29180 -4873 -17140 -7838 -20816 -9443 5402 3234 8095 -1510 15386 -15023 2210 12525 1311 3545 4573 11507 9018 8772 4382 11283 8797 4337 5464 6878 3906 7730 797 3826 5693 6352 9016 -1636 3898 4212 2231 3468 1742 8055 2865 369 -3754 -3275 -7673 -518 -795 1670 -152 -1645 940 -1599 1104 511 -1294 -1343 3161 -630 13 -3755 -3006 -2472 96 301 -566 -763 -724 -799 -2786 -1339 -1207 -1533 -2398 -622 -67 163 1075 492 444 384 7 -765 190 -175 -65 1228 696 884 770 1047 1059 443 345 476 411 -416 -716 -342 -738 502 304 -53 130 233 309 -594 231 -501 -592 -4834 -1386 -2031 -3472 -1042 -2213 -49 -1110 -353 -3468 -332 -1848 -264 -2480 -908 -1550 -68 -549 -1030 -906 110 614 -588 -890 -913 -1549 735 -613 242 48 -156 -887 1140 -1445 -188 -742 -334 -1174 -571 368 254 655 -142 1257 -1693 214 1118 135 373 508 1314 1173 1254 709 1809 1504 794 988 1202 697 1374 166 868 1408 1643 2257 -453 1055 1242 759 1283 686 2961 1053 128 -1230 -1003 -2489 -174 -313 747 -79 -951 567 -1058 758 370 -981 -1019 2214 -431 8 -2414 -1982 -1800 79 284 -611 -888 -844 -882 -2879 -1273 -1150 -1553 -2599 -705 -82 217 1571 720 685 593 10 -1105 289 -270 -105 1874 1104 1394 1299 1704 1658 671 505 687 625 -708 -1238 -645 -1491 1058 683 -126 325 600 805 -1549 575 -1188 -1337 SS 20240619T105601.7Z 8936.455575 152 1 51.53 2 77.49 69.84 129.23 270.50 0.00 1 0.00 1 0 17 3.406e-01 8.253e-03 7.245e-02 2.303e-03 5.733535e-01 1.334414e-03 6.996788e-03 -6.000000e+00 2.109327e-01 232.87 -2.00 3.48 -2.00 320.95 0.00e+00 3.629439e-03 5.886651e-04 3.747353e-03 -6.000000e+00 9.264420e-03 288.08 -2.00 20.00 -2.00 320.30 0.00e+00 4.485 0.002 302.00 328.00 3 1.5541e+00 4.3932e-03 5.6868e-02 -6.0000e+00 5.2926e-01 5.0642e-02 5.7291e-03 3.7789e-02 -6.0000e+00 5.6826e-01 -1.0546e-01 5.2468e-03 1.8696e-02 -6.0000e+00 3.3836e-01 3.2717e-02 2.5534e-03 5.0258e-03 -6.0000e+00 1.4391e-01 6.8034e-04 -1.2853e-03 7.3990e-05 9.4451e-05 -6.0000e+00 1.0502e-02 -3.4541e-02 1.6055e-04 11 9 0 11 24 0 46.22 23.58 0.49 -0.03454 -0.04420 147 24 1 5 0 350.520 26.32 20.01 23.58 32.61 4.2 1047.60 -140916 -137631 -97014 -80870 -91423 -115095 -132052 -123262 -79256 -107628 -91008 -83947 -67824 -32288 -24458 -33988 -24155 -10813 -27549 -10831 -37463 -24010 -25045 -4554 -11588 -12203 -11150 -19966 -22958 -18616 -4912 -17104 25 -6870 -4809 -10709 -15946 -9119 -3080 604 -2971 2106 4336 -614 1203 3151 11 -122 4383 1377 2538 3164 4016 3496 4298 2397 884 1600 1675 929 2946 2663 3305 4014 3933 2768 1316 1176 1449 2114 2137 1337 1776 900 -355 -1864 -2600 -3138 -3394 -2296 -1248 -1410 -1883 -1009 -775 104 528 1410 965 1333 -143 -462 -1238 -1647 -511 -598 532 191 278 -484 -1365 -1385 -963 -943 -1247 -1406 -993 -129 602 957 747 663 190 -224 -363 -167 15 328 709 295 656 847 640 605 268 -224 -246 319 -240 -61 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