File name: Pandora64s1_NewHavenCT_20231120_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231121T044454.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231120_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20231120 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20231120T122001.6Z 8724.513908 57 1 47.84 2 85.16 121.64 150.30 38.35 0.00 1 0.00 1 0 17 4.827e-01 5.845e-02 2.611e-01 2.558e-02 9.492761e-01 1.515916e-02 1.137411e-02 -6.000000e+00 2.864709e-01 223.09 -2.00 3.52 -2.00 321.73 0.00e+00 1.030153e-02 5.230735e-03 4.787789e-03 -6.000000e+00 1.270417e-02 279.67 -2.00 20.00 -2.00 321.15 0.00e+00 10.062 0.019 302.00 328.00 3 -3.3205e-01 4.8073e-02 1.1303e-01 -6.0000e+00 7.0467e-01 2.2299e+00 5.5623e-02 4.9186e-02 -6.0000e+00 7.6501e-01 -2.1197e+00 3.2117e-02 2.5264e-02 -6.0000e+00 4.5652e-01 6.9651e-01 1.7570e-02 9.2666e-03 -6.0000e+00 1.9518e-01 9.3929e-06 -3.5178e-04 7.0008e-04 2.1375e-04 -6.0000e+00 1.4334e-02 2.8231e-03 -4.2118e-05 12 8 8 10 0 0 8.15 21.00 0.47 0.00282 0.00018 25 6 1 5 0 1913.210 25.58 20.02 21.00 8.05 36.5 940.83 65911 116745 57275 30519 -66395 118205 -34416 -41792 108609 59710 -26083 9295 6986 3033 93407 34486 18579 163326 14372 89340 6200 83625 117862 113427 -9089 108005 -35369 -38922 -20954 -87458 -311 35510 15289 19743 25132 8534 31050 5226 26266 59899 73874 62767 56579 -44478 12438 46750 86791 7132 40974 66739 106284 181827 151040 13528 44187 26084 42395 12155 108305 -507 29131 14900 45968 21160 84717 3835 31598 45810 42731 19165 28921 -642 28171 -5027 -5129 -17483 91814 -14737 7210 -1261 1350 -45386 5217 5554 1723 1972 15952 5824 5096 7511 -16084 -2430 -17554 -3080 -792 12804 -848 6945 2796 -6321 -4483 -2698 -14263 -2133 -5630 -3009 -3636 20556 -1734 1766 3498 -2131 -1797 2694 -47 -386 392 312 -3451 3260 -3077 4720 1656 8995 7514 279 -4875 5926 -2524 480 -650 -2674 -1601 197 1733 169 -73 1360 2697 -942 -2163 -2036 5828 6088 4935 2768 -11868 3216 -3980 -4928 2709 2302 -2366 695 665 365 5295 3832 2486 5185 1923 5267 745 4172 4009 4244 -989 3771 -4331 -4589 -2091 -19434 -35 3060 1733 2015 2165 851 2605 628 2859 5025 6080 5266 5003 -10388 1608 4664 5845 1003 4274 6325 7423 6349 7534 2515 6011 4199 5575 2012 7023 -86 4214 2500 6994 4126 9720 887 5732 7583 8139 5041 7082 -207 6260 -1391 -1244 -4361 8473 -3943 1847 -417 502 -30358 2236 2481 840 988 7089 2839 2427 3270 -8315 -1069 -9274 -1585 -470 7838 -692 5952 2389 -5702 -3964 -2074 -11481 -1577 -4557 -2483 -3281 16127 -1791 2026 4406 -2989 -2543 3578 -63 -512 537 446 -5343 4676 -4484 6043 2130 10395 8668 341 -6424 8031 -4375 922 -1409 -6397 -4090 533 4928 501 -204 4058 7702 -2607 -5660 -5018 SS 20231120T123131.1Z 8724.521888 60 1 48.42 2 83.34 123.66 148.92 42.79 0.00 1 0.00 1 0 25 4.112e-01 3.024e-02 1.496e-01 5.843e-03 8.583864e-01 3.385767e-03 1.017447e-02 -6.000000e+00 2.439501e-01 223.09 -2.00 3.52 -2.00 321.96 0.00e+00 3.216160e-02 1.830974e-03 3.586604e-03 -6.000000e+00 1.082244e-02 279.67 -2.00 20.00 -2.00 321.51 0.00e+00 7.854 0.009 302.00 328.00 3 7.4091e-02 1.2307e-02 1.0244e-01 -6.0000e+00 6.0007e-01 1.1462e+00 1.5145e-02 8.9493e-02 -6.0000e+00 6.5153e-01 -1.5003e+00 1.2371e-02 2.3766e-02 -6.0000e+00 3.8880e-01 6.2450e-01 5.9989e-03 3.0477e-02 -6.0000e+00 1.6617e-01 7.4315e-05 -3.4550e-03 1.6337e-04 3.8799e-04 -6.0000e+00 1.2210e-02 3.0944e-03 -1.1984e-04 12 8 8 10 0 0 5.06 21.00 0.20 0.00309 -0.02287 97 23 1 5 0 499.160 25.58 20.02 21.00 8.48 36.6 943.29 32525 112588 31788 16787 -177433 -2277 -56514 -93293 -67254 -30480 -81401 -69268 -4366 8125 55871 46593 88583 65734 63899 93207 58371 53351 137867 45264 32336 -28041 26687 -24781 22494 -43279 40301 40419 105100 37408 84150 33149 79392 32056 65467 36503 65654 37580 65932 23559 58751 43560 78028 40096 53992 28505 64717 53627 63715 37614 53527 23876 28320 21043 25031 21012 23669 24787 28932 31039 34315 18216 24288 23761 16136 19786 10801 15835 4848 6787 455 1981 6204 404 -3989 7356 -1524 -2605 -2666 -1175 -2499 -541 -2768 -11 957 3022 -4776 -3432 -8641 -6203 -5501 -2591 -4377 -366 -219 179 -352 -961 -5207 -2821 -3266 -4382 -4343 -2350 -2619 -1951 -1165 -1345 -693 -742 -879 -1458 167 116 1971 2062 2122 1782 3699 2452 4117 2077 -250 1423 2602 1151 1867 -52 161 -460 603 -394 -625 -256 676 -624 -600 -2973 590 1090 626 330 -18363 -38 -1376 -2899 -1463 -469 -1897 -1794 -92 189 1146 1134 1716 1566 1711 1805 1463 1246 1257 928 682 -929 547 -861 538 -2241 1286 1520 2335 1620 2061 1322 2081 1461 2350 1720 2656 1907 2930 1501 3012 2482 3645 2658 3300 2421 4223 4222 4785 3818 4574 2683 2948 2245 2489 2220 2636 3119 4031 4790 5332 3302 4277 4393 3585 4714 2692 3744 1204 1645 105 412 1243 94 -1076 2144 -565 -1109 -1220 -556 -1274 -283 -1535 -6 511 1506 -2417 -1658 -4459 -3466 -3612 -1823 -3692 -342 -218 174 -319 -779 -4080 -2218 -2749 -3912 -4212 -2464 -3140 -2664 -1638 -1997 -1032 -1083 -1247 -2064 241 177 3092 3249 3218 2584 5505 3567 5755 2914 -362 2104 4437 2261 4044 -115 380 -1169 1614 -1095 -1758 -723 1844 -1618 -1452 -6920 SS 20231120T124149.2Z 8724.529042 63 1 48.43 2 81.75 125.50 147.60 46.49 0.00 1 0.00 1 0 25 5.962e-01 1.665e-02 7.476e-02 2.392e-03 7.594740e-01 1.359199e-03 8.870021e-03 -6.000000e+00 3.537341e-01 223.09 -2.00 3.52 -2.00 321.47 0.00e+00 1.055510e-02 6.947093e-04 2.421317e-03 -6.000000e+00 1.569161e-02 279.66 -2.00 20.00 -2.00 320.99 0.00e+00 6.544 0.005 302.00 328.00 3 2.2699e-01 4.7374e-03 7.6693e-02 -6.0000e+00 8.7012e-01 2.9234e-01 6.5320e-03 4.1581e-02 -6.0000e+00 9.4471e-01 -3.9506e-01 6.5540e-03 2.5785e-02 -6.0000e+00 5.6375e-01 1.6240e-01 3.0766e-03 1.3209e-02 -6.0000e+00 2.4097e-01 2.9745e-04 -1.6189e-03 6.9040e-05 1.9383e-04 -6.0000e+00 1.7703e-02 2.5037e-03 -1.2028e-04 12 8 8 10 0 0 19.81 21.01 0.19 0.00250 -0.00966 211 51 1 5 0 229.490 25.68 20.00 21.01 8.85 36.5 944.53 -175295 -189365 -179076 -196104 -303829 -174127 -186485 -171660 -166167 -148556 -176307 -145186 -126905 -83875 -74403 -43105 -47059 -2584 -56190 -11466 -39286 7926 -43397 -30926 -43222 -14534 -52561 -23359 -31651 -36880 -20728 6138 1284 14423 -11444 15435 5780 8357 6354 18273 8083 15535 11225 12253 10847 18159 16104 19653 13966 10620 15406 12875 18386 14642 12527 10909 8609 5321 7775 8968 7229 7884 10924 11293 10651 5782 6556 4323 6566 4849 4214 2457 1975 -297 401 -2872 2165 -2609 -17 -360 -761 -2637 -1190 -2378 -633 -1574 528 -660 1906 527 -429 -1358 -2473 -2656 -985 -1538 -987 259 269 -582 -596 -2330 -3167 -1412 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