File name: Pandora177s1_WestportCT_20231206_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T155938.5Z 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_20231206_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: 20231206 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 20231206T133139.5Z 8740.563651 299 1 48.16 2 77.73 135.22 45.30 217.12 0.00 1 0.00 1 0 25 5.566e-01 3.560e-02 4.207e-01 2.852e-02 6.954998e-01 1.679615e-02 9.920641e-03 -6.000000e+00 3.336156e-01 222.89 -2.00 3.51 -2.00 321.51 0.00e+00 2.205489e-02 7.840578e-03 6.508326e-03 -6.000000e+00 1.681364e-02 278.05 -2.00 20.00 -2.00 321.02 0.00e+00 4.568 0.002 302.00 328.00 3 4.4957e+00 5.6312e-02 5.9733e-02 -6.0000e+00 8.2548e-01 6.2563e-01 7.0311e-02 3.6929e-02 -6.0000e+00 9.0104e-01 -7.9888e-01 5.9126e-02 2.9856e-02 -6.0000e+00 5.3195e-01 3.3620e-01 2.8821e-02 2.1739e-02 -6.0000e+00 2.3034e-01 2.3896e-05 -1.4238e-03 8.8124e-04 4.0332e-04 -6.0000e+00 1.6889e-02 1.3992e-03 0.0000e+00 12 8 8 10 0 0 99.86 23.06 0.55 0.00140 -0.00930 14 3 1 5 0 3439.580 26.41 19.96 23.06 5.83 21.8 891.67 900000 900000 -159625 -50937 -118481 186815 -109008 900000 900000 101584 900000 -99236 -75385 943 -106772 900000 -37567 900000 50471 43974 201224 900000 -79772 900000 34701 900000 -36337 -100884 -7185 237208 900000 -17608 68110 219792 364 50262 12023 173490 -26606 900000 64864 16486 15053 33307 -5504 96709 29219 62859 57632 33512 88132 72453 23876 9724 42783 6814 35011 17878 978 -296 9270 20071 4876 15757 33799 19603 17350 22200 13109 19415 9199 4621 5683 293 6833 15090 1064 -396 2741 4300 6506 -4075 -5106 -11030 -3195 362 -1984 -6681 -4556 1000 1840 -5426 -7602 -11008 -11679 3571 -3822 2407 -3810 1919 -3691 -1711 -356 126 1567 260 2064 1399 -1127 700 -1561 -360 -255 -2369 563 443 1008 -708 181 610 1091 5053 2518 2017 1211 3483 779 391 -1356 -2470 -1023 -1512 574 3179 2210 286 747 -128 -274 -2901 -225 -1570 900000 900000 -11071 -1413 -4383 5183 -3024 900000 900000 2818 900000 -2753 -2208 26 -7405 900000 -1737 900000 1400 1220 5583 900000 -5728 900000 963 900000 -1482 -7903 -235 6581 900000 -1092 2001 6098 20 1640 608 4813 -2562 900000 2964 1291 1253 2392 -602 4192 2432 3898 3950 3117 5501 5779 3117 1523 5193 1112 4492 2635 166 -51 1559 3411 1099 3524 6564 4317 3851 4889 3500 5420 3030 1611 1882 95 1860 3428 267 -107 832 1529 2628 -2049 -2798 -6770 -1911 221 -1290 -4622 -3034 601 1028 -3058 -4297 -6872 -8404 2588 -3466 2316 -4168 1957 -3655 -1487 -286 102 1329 237 1958 1445 -1332 913 -2276 -541 -380 -3471 763 587 1356 -1019 271 926 1721 7327 3595 2802 1634 4425 1013 550 -2201 -4568 -2026 -3185 1252 7166 5313 725 1917 -331 -699 -7238 -508 -3381 SS 20231206T135358.2Z 8740.579146 309 1 48.84 2 74.88 139.64 48.06 223.64 0.00 1 0.00 1 0 25 2.677e-01 1.078e-02 5.498e-02 1.367e-03 5.961689e-01 7.405793e-04 7.745257e-03 -6.000000e+00 1.568604e-01 222.89 -2.00 3.51 -2.00 320.82 0.00e+00 6.422870e-03 3.140484e-04 5.177410e-03 -6.000000e+00 6.888859e-03 278.05 -2.00 20.00 -2.00 320.31 0.00e+00 3.762 0.001 302.00 328.00 3 1.2452e+00 2.3207e-03 5.2243e-02 -6.0000e+00 3.8593e-01 4.8864e-02 3.0530e-03 3.9663e-02 -6.0000e+00 4.1889e-01 -6.0173e-02 3.0861e-03 2.5715e-02 -6.0000e+00 2.4973e-01 1.6150e-02 1.5257e-03 1.0407e-02 -6.0000e+00 1.0756e-01 1.7487e-03 1.3906e-04 4.1169e-05 1.6271e-04 -6.0000e+00 7.8640e-03 1.4983e-03 0.0000e+00 12 8 8 10 0 0 99.67 23.05 0.29 0.00150 0.00254 392 90 1 5 0 124.570 26.41 20.04 23.05 6.52 21.9 897.46 -74787 -54963 -96395 -67511 -122954 -70989 -91055 -57051 -84906 -77893 -97376 -88957 -47813 -51158 -22804 -40120 -8756 -26291 -14087 -15923 -5115 -12569 -19425 -8148 -18410 -11700 -21267 -15430 -25788 -15983 -12158 -7999 -308 -10997 -9688 -13836 -61 -4199 -235 -2392 -2623 -909 -2896 2140 1335 3870 875 2421 -277 2139 3378 3591 4764 1784 3293 740 438 -891 -1504 -588 1427 3912 4085 4382 1448 900 -96 931 3056 2285 2049 1707 1300 364 -997 -3148 -4196 -4284 -2102 -1892 -1954 -1593 -2614 -931 -188 901 1684 1793 1833 1027 233 -1666 -2209 -1561 -729 -517 997 1675 674 -336 -1814 -1970 -1008 -140 -1825 -1816 -1273 -575 1034 1345 1294 410 9 -745 -835 -524 443 526 1042 499 746 1408 1665 962 291 -1126 -1035 473 -109 -615 -1114 -1439 -485 -226 101 -19 726 1014 686 -76 -489 -964 -462 -320 -888 -450 -1341 -456 -772 -387 -833 -755 -1239 -1229 -618 -886 -371 -914 -165 -648 -330 -399 -117 -313 -539 -216 -577 -354 -709 -483 -925 -577 -504 -378 -15 -621 -529 -802 -3 -298 -19 -232 -282 -103 -350 254 164 475 114 322 -40 323 558 656 937 386 734 175 105 -214 -357 -139 351 1049 1232 1440 503 307 -33 330 1188 1007 973 831 619 164 -413 -1214 -1566 -1674 -914 -964 -1149 -1042 -1865 -694 -148 743 1441 1554 1559 840 179 -1226 -1599 -1188 -621 -506 1097 1852 794 -391 -2165 -2132 -1033 -146 -2066 -2176 -1602 -772 1369 1964 2037 670 15 -1151 -1223 -745 635 792 1640 807 1186 2138 2430 1502 440 -1656 -1511 727 -172 -1079 -2111 -2873 -1010 -499 235 -46 1776 2487 1664 -177 -1082 -2038 SS 20231206T135927.8Z 8740.582961 312 1 26.18 2 74.22 140.76 48.79 225.15 0.00 1 0.00 1 0 25 2.240e-01 1.090e-02 3.309e-02 1.144e-03 5.733028e-01 6.092634e-04 7.234746e-03 -6.000000e+00 1.312418e-01 222.89 -2.00 3.51 -2.00 320.41 0.00e+00 5.071596e-03 2.302097e-04 3.931427e-03 -6.000000e+00 5.763682e-03 278.05 -2.00 20.00 -2.00 319.89 0.00e+00 3.614 0.001 302.00 328.00 3 1.0018e+00 1.8334e-03 4.8668e-02 -6.0000e+00 3.2290e-01 3.1682e-02 2.3216e-03 3.4640e-02 -6.0000e+00 3.5047e-01 -4.5234e-02 2.2398e-03 2.1610e-02 -6.0000e+00 2.0894e-01 1.0638e-02 1.1318e-03 8.6890e-03 -6.0000e+00 8.9993e-02 2.6562e-03 8.1428e-05 3.3677e-05 1.3610e-04 -6.0000e+00 6.5796e-03 1.4282e-03 0.0000e+00 12 9 9 12 1 1 96.77 23.05 0.35 0.00143 0.00204 197 85 1 5 0 132.190 26.41 19.97 23.05 6.75 21.9 898.82 -69761 -77610 -49861 -71941 -68176 -102197 -82430 -71062 -61543 -62772 -67612 -51972 -43139 -32437 -23170 -19829 -20551 -14460 -10851 -7226 -4094 -11191 -5716 -18789 -13445 -18869 -17700 -19139 -11565 -7647 -8030 -2570 -4424 -5858 -13171 -6793 -9400 -2405 -567 -954 -156 -768 1002 458 1645 1258 1102 834 805 2392 2454 2531 2168 2524 1418 2181 77 -93 -822 252 2027 3251 4650 3134 1636 -42 182 188 2164 2446 1768 2018 357 332 -1132 -2700 -3554 -3918 -2134 -2181 -1815 -1994 -2260 -1401 -55 656 1836 1596 1936 1300 46 -989 -2503 -1398 -967 -319 703 1511 694 -500 -1617 -2163 -704 -351 -1626 -1900 -1116 -588 961 1327 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