File name: Pandora177s1_WestportCT_20230501_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T115039.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230501_L1_smca1c5d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20230501 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20230501T110039.7Z 8521.458793 186 1 11.63 2 78.28 80.13 119.27 311.62 0.00 1 0.00 1 0 25 6.242e-01 2.767e-02 3.835e-01 1.839e-02 7.058148e-01 1.118415e-02 1.161511e-02 -6.000000e+00 3.912007e-01 229.91 -2.00 3.51 -2.00 321.28 0.00e+00 5.946421e-03 5.476870e-03 1.403131e-02 -6.000000e+00 2.002157e-02 281.97 -2.00 20.00 -2.00 320.78 0.00e+00 4.765 0.002 302.00 328.00 3 3.4654e+00 3.8122e-02 9.0920e-02 -6.0000e+00 9.8945e-01 3.0307e-01 5.1977e-02 9.4172e-02 -6.0000e+00 1.0767e+00 -3.5125e-01 5.1172e-02 3.6336e-02 -6.0000e+00 6.2565e-01 1.3804e-01 2.4178e-02 6.3056e-03 -6.0000e+00 2.6594e-01 5.9025e-05 -8.1633e-04 5.6910e-04 2.6944e-04 -6.0000e+00 1.8953e-02 -4.4927e-02 0.0000e+00 12 9 9 12 9 1 99.94 23.69 0.55 -0.04493 -0.05106 3 4 1 5 0 2863.550 27.05 20.02 23.69 12.82 19.8 942.06 -159708 900000 -197083 900000 -76741 900000 900000 -249685 900000 900000 900000 -176432 900000 -173692 900000 900000 20788 900000 28965 900000 -93549 900000 -112209 900000 12041 154484 -43504 -7811 36475 23810 248662 11543 900000 -15662 -19439 900000 85372 309741 39780 109666 16200 100071 57517 67198 -31647 34020 71811 6323 36514 18851 68248 -2865 25970 21416 19071 48516 12240 11459 -9817 32009 1718 36578 8136 6242 16917 4359 17001 2373 864 1421 -1105 5144 10047 3467 -1044 -2892 1862 6299 -13431 1001 -471 2984 -8181 -1318 1519 -1657 2006 -2483 -1680 -9 4244 -9749 -5318 -5139 -3302 576 -984 106 -1633 2191 -1759 -2656 -3691 1060 805 -5585 874 -2710 1579 4072 1362 -906 1320 -1519 229 677 1001 141 1479 2585 837 1181 1605 916 1326 -34 347 -2790 1095 80 1115 -1762 -2036 -135 211 -693 -461 1870 661 489 -1374 -417 -2855 900000 -4079 900000 -1372 900000 900000 -8691 900000 900000 900000 -4380 900000 -6899 900000 900000 372 900000 518 900000 -3716 900000 -5460 900000 215 2761 -1253 -155 652 426 4444 298 900000 -653 -830 900000 1526 5536 1506 2421 1022 2946 2721 2967 -3614 2182 3247 572 2572 1704 4162 -398 2976 2769 2667 5254 1943 1819 -1878 3971 298 4923 1651 1444 3735 1091 3700 619 254 471 -411 1871 3433 1192 -342 -873 503 1662 -4844 369 -207 1443 -4860 -782 930 -1110 1362 -1809 -1205 -6 2601 -6447 -3254 -3264 -2309 450 -905 104 -1763 2301 -1803 -2617 -3396 928 747 -5866 910 -3132 1821 5139 1950 -1405 2022 -2323 328 932 1380 204 2230 3973 1298 1754 2274 1263 1863 -47 463 -4018 1607 135 2034 -3525 -4318 -299 470 -1630 -1110 4430 1570 1123 -3182 -894 SS 20230501T110446.2Z 8521.461645 189 1 15.72 2 77.51 80.78 119.83 312.54 0.00 1 0.00 1 0 25 4.055e-01 1.002e-02 2.572e-01 5.014e-03 6.544127e-01 2.857509e-03 7.894795e-03 -6.000000e+00 2.455900e-01 229.91 -2.00 3.51 -2.00 321.00 0.00e+00 4.008222e-03 1.297690e-03 4.198898e-03 -6.000000e+00 1.102256e-02 281.97 -2.00 20.00 -2.00 320.48 0.00e+00 4.495 0.002 302.00 328.00 3 2.0637e+00 9.4467e-03 6.0078e-02 -6.0000e+00 6.1328e-01 6.5899e-02 1.2886e-02 4.2623e-02 -6.0000e+00 6.6038e-01 -7.2810e-02 1.3155e-02 2.3504e-02 -6.0000e+00 3.9256e-01 2.2974e-02 6.3207e-03 7.5491e-03 -6.0000e+00 1.6897e-01 3.5269e-04 -8.3893e-04 1.4894e-04 1.3810e-04 -6.0000e+00 1.1918e-02 -4.8878e-02 0.0000e+00 12 9 9 12 1 1 99.97 23.70 0.40 -0.04888 -0.05518 31 23 1 5 0 485.800 27.05 19.99 23.70 12.85 19.9 942.50 -184980 -102068 -130788 -142451 -172144 -155476 -149156 48565 -146997 18203 -96767 900000 61911 -33889 -84667 -24837 43319 -60002 9581 -27261 11807 -43529 -20682 25022 -35585 -21773 -35564 5 -21544 -18048 -23018 23472 18007 -10036 -13739 -12748 -12360 -6960 6955 2640 -3666 5499 -1262 -979 -6440 7217 -3599 7880 -417 3055 4408 6392 2918 1462 3806 2287 4402 -105 -786 -1076 -287 4725 2759 3851 3694 3393 1593 -25 89 3281 1499 279 1305 -844 735 -2082 -684 -946 -1441 -1167 -2007 -1068 -3236 -1898 -374 -641 279 1050 1487 1670 1050 -320 -1647 -2287 -897 -913 379 454 1607 476 -1336 -2054 -1942 61 3 -1154 -681 -1623 109 923 1080 648 518 -448 -773 -836 460 1062 759 265 289 648 1090 1318 -109 -275 -1806 223 297 -253 -871 -1430 -579 -248 183 -128 178 1097 552 209 -363 -784 -1726 -499 -930 -1139 -1759 -1313 -1259 237 -1568 89 -804 900000 303 -282 -1490 -291 296 -1290 112 -493 150 -979 -384 318 -904 -511 -973 0 -516 -450 -709 551 519 -412 -584 -536 -562 -357 381 179 -301 449 -117 -93 -664 667 -382 774 -47 357 562 897 469 259 700 447 867 -22 -160 -218 -60 1025 692 1067 1089 1002 471 -8 31 1240 635 125 577 -362 285 -752 -228 -320 -544 -517 -1050 -630 -2145 -1329 -274 -502 228 877 1231 1333 795 -230 -1153 -1660 -714 -838 361 489 1858 563 -1514 -2118 -1855 63 3 -1230 -764 -1960 142 1329 1706 1086 875 -739 -1214 -1264 688 1644 1244 452 491 1061 1704 1987 -161 -391 -2538 319 474 -456 -1730 -2782 -1177 -536 417 -307 437 2705 1361 500 -826 -1683 SS 20230501T110927.4Z 8521.464900 192 1 12.19 2 76.64 81.52 120.47 313.61 0.00 1 0.00 1 0 17 4.676e-01 1.482e-02 3.209e-01 1.057e-02 6.149587e-01 5.929896e-03 7.303222e-03 -6.000000e+00 2.831119e-01 229.91 -2.00 3.51 -2.00 320.81 0.00e+00 6.337557e-03 2.488778e-03 2.717372e-03 -6.000000e+00 1.239656e-02 281.97 -2.00 20.00 -2.00 320.27 0.00e+00 4.221 0.001 302.00 328.00 3 3.3985e+00 1.8767e-02 5.4407e-02 -6.0000e+00 7.0722e-01 1.0566e-01 2.4483e-02 3.4816e-02 -6.0000e+00 7.6143e-01 -1.0479e-01 2.3772e-02 2.1676e-02 -6.0000e+00 4.5286e-01 4.3174e-02 1.1694e-02 9.5811e-03 -6.0000e+00 1.9521e-01 1.2189e-04 -1.1670e-03 3.1275e-04 1.3280e-04 -6.0000e+00 1.3752e-02 -4.9096e-02 0.0000e+00 12 9 9 12 1 1 92.98 23.70 0.17 -0.04910 -0.05787 4 5 1 5 0 2403.090 27.05 20.01 23.70 13.00 19.9 944.26 -143590 -149087 900000 -117840 -147249 -204778 -106507 -173749 192395 -40698 25730 -116019 44657 -103380 12145 198322 -77078 10489 -32985 -48402 -32894 -7508 6572 33219 13409 -64939 -15286 -46309 -32003 -39627 48166 -8614 12013 -9546 4979 14192 -2634 -6507 5400 23605 -6531 2834 12697 10015 17468 741 -5872 1286 -446 2832 10397 8051 9141 3999 -6642 5908 4539 5497 -6758 -7281 -376 2486 6328 4030 1752 -356 -1831 8362 341 7263 540 227 4734 1710 2265 803 -1234 -405 -3107 -525 -2738 -277 -906 -1587 -536 54 -256 1504 885 4402 505 -1832 -2702 340 -810 -3179 122 -878 -22 101 -764 -2195 -163 -730 -472 -2400 -273 -791 -642 -524 1360 -81 104 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