File name: Pandora64s1_NewHavenCT_20250307_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250308T053238.2Z 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 v1.8.74 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250307_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: 20250307 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 20250307T114633.9Z 9197.490670 136 1 47.80 2 85.16 101.10 110.89 2.06 0.00 1 0.00 1 0 25 5.186e-01 8.805e-02 2.282e-01 3.617e-02 1.290945e+00 2.237100e-02 1.483446e-02 -6.000000e+00 3.114371e-01 225.77 -2.00 3.52 -2.00 321.00 0.00e+00 -1.256581e-02 4.542248e-03 2.009926e-03 -6.000000e+00 1.348259e-02 276.28 -2.00 20.00 -2.00 320.23 0.00e+00 10.069 0.019 302.00 328.00 3 -7.2102e-01 6.2735e-02 1.2195e-01 -6.0000e+00 7.7274e-01 3.5500e+00 7.2708e-02 7.1139e-02 -6.0000e+00 8.3840e-01 -2.8172e+00 4.0287e-02 3.1892e-02 -6.0000e+00 4.9685e-01 7.0582e-01 2.1212e-02 1.3359e-02 -6.0000e+00 2.1058e-01 6.1851e-06 2.5627e-03 8.4507e-04 2.0321e-04 -6.0000e+00 1.5419e-02 -1.7195e-03 -1.2157e-04 12 9 8 11 8 0 -9.67 21.57 0.64 -0.00172 0.01754 20 5 1 5 0 2389.720 26.00 20.00 21.57 6.95 38.4 951.03 28173 77808 26786 43601 100621 -11468 -32787 -23918 40717 491 -26004 21619 1474 10671 88327 32031 6905 95542 -10390 65137 -5355 148037 177406 57688 43107 40906 -14597 9959 -23378 -93880 -844 52858 29660 23990 35612 37089 3114 5012 99755 67455 57317 69560 33453 -46110 17975 10592 33665 -23085 61572 -82289 58864 900000 900000 48654 79275 9537 42058 -2511 106327 -6747 10278 -5258 57343 -40293 131615 -13257 29401 68487 32399 36360 76626 21512 16463 -6202 6278 -16183 347689 -8084 1898 32385 13392 -18079 2368 13089 22742 2776 23800 8600 33366 9538 -21837 1560 -24784 -4191 10745 33175 14182 22650 20637 3174 -6156 6926 -37262 6653 -7479 -5085 -8367 45001 -5723 14548 5958 67 -734 5920 -1095 -6551 -3910 -1677 -8329 2364 -5661 3180 -575 2015 21 -5340 -3215 9032 6181 1094 -2573 -2378 -1702 -1193 -119 -851 539 2594 2674 -1190 -833 1486 6372 9828 4800 5123 5616 -1886 -6838 -4707 4306 78 -5576 3302 316 2351 9859 6492 1785 10716 -2808 8141 -1085 6641 6253 7025 5940 5374 -2658 1340 -4270 -36125 -162 6437 4752 3690 4336 4397 559 1012 8951 9079 8633 8916 5682 -14222 2938 1765 4423 -5548 6708 -37708 7922 900000 900000 8575 10415 2506 7547 -628 7837 -1405 1812 -1180 7718 -15753 10207 -4036 6218 10534 7994 9205 13014 5997 4273 -1729 1308 -3838 12256 -2046 523 7783 4506 -9385 1055 5411 8745 1308 8999 3638 10371 3454 -10217 580 -12945 -2082 5509 16053 9634 15895 15144 2406 -4557 4217 -29662 3816 -5129 -3552 -6596 23505 -5380 13162 6686 85 -973 7303 -1422 -8986 -5398 -2335 -12576 3063 -7350 3531 -644 2131 22 -5976 -3749 11170 9551 2086 -5812 -5937 -4653 -3541 -346 -2540 1601 7532 8027 -3416 -2194 3593 SS 20250307T120722.1Z 9197.505117 142 1 48.20 2 81.35 104.63 110.60 6.70 0.00 1 0.00 1 0 17 5.204e-01 2.411e-02 1.365e-01 3.873e-03 9.805141e-01 2.254410e-03 1.089207e-02 -6.000000e+00 3.120850e-01 225.77 -2.00 3.52 -2.00 321.91 0.00e+00 2.025063e-02 1.212695e-03 4.450968e-03 -6.000000e+00 1.350909e-02 276.28 -2.00 20.00 -2.00 321.50 0.00e+00 6.275 0.005 302.00 328.00 3 9.1184e-01 8.0418e-03 9.1825e-02 -6.0000e+00 7.7323e-01 8.8974e-01 1.0984e-02 8.1376e-02 -6.0000e+00 8.3823e-01 -1.1920e+00 1.0876e-02 2.8784e-02 -6.0000e+00 4.9816e-01 4.9581e-01 5.0727e-03 2.2344e-02 -6.0000e+00 2.1131e-01 1.2946e-04 -2.6677e-03 1.0059e-04 2.5309e-04 -6.0000e+00 1.5463e-02 -3.5477e-03 -1.1556e-04 12 8 8 10 0 0 99.44 21.57 0.22 -0.00355 -0.02359 111 27 1 5 0 434.120 26.00 19.99 21.57 7.43 38.2 952.94 -134202 -154886 -25601 -168428 -268520 -155999 -86061 -176900 -124374 -186918 -121871 -159914 -71396 -91582 29191 -38742 30406 -5667 12511 991 14138 1988 62034 -37845 11952 -13062 -31367 -50187 -6610 -60032 17617 29094 21009 32275 12198 12632 8072 19253 34308 40247 44047 52534 27083 23227 41831 51945 49709 52907 30985 21267 42882 29699 47856 39440 28014 32952 15328 26726 27448 22538 14822 21619 21964 24539 28321 20198 16334 19872 14186 14341 12039 13576 5907 7317 681 1788 4614 -845 679 4696 817 576 -879 -1724 -1343 -1182 1217 11 2047 1852 -568 -1042 -3414 -4582 -3058 -3331 -3212 -982 574 -742 -899 -2588 -3916 -2259 -1857 -4440 -2775 -2310 -2417 -1405 -621 -1430 -479 -373 -647 -984 410 154 1503 1364 1803 1674 2731 2524 2629 2257 -822 796 1711 946 1316 370 339 -40 511 -376 -884 187 176 -466 -646 -2183 -2165 -3403 -174 -3874 -14564 -2517 -715 -3218 -1456 -3721 -1473 -3294 -944 -1855 254 -731 356 -105 198 18 208 31 515 -829 153 -212 -604 -1175 -110 -1916 373 659 595 829 355 367 265 640 1127 1398 1580 1825 1162 1060 1801 2118 2196 2457 1766 1475 2708 2365 3433 3290 2664 2998 1642 2450 2403 2081 1582 2464 2903 3622 4248 3321 2944 3684 2879 3263 2947 3281 1452 1614 143 371 942 -185 178 1439 306 248 -416 -867 -659 -604 628 6 1038 969 -286 -517 -1780 -2504 -1961 -2568 -2916 -1006 575 -736 -890 -2302 -3237 -1873 -1627 -4174 -2784 -2369 -2849 -1895 -937 -2161 -729 -560 -1015 -1533 651 238 2396 2167 2910 2554 3983 3557 3613 3061 -1159 1246 2918 1861 2705 831 818 -104 1322 -1007 -2393 501 458 -1208 -1553 -4968 SS 20250307T122503.3Z 9197.517400 150 1 48.66 2 78.15 107.71 110.12 10.62 0.00 1 0.00 1 0 33 3.963e-01 3.316e-02 1.813e-01 6.264e-03 7.446970e-01 3.521697e-03 9.047511e-03 -6.000000e+00 2.373358e-01 225.77 -2.00 3.52 -2.00 321.25 0.00e+00 3.227734e-02 1.558584e-03 6.873630e-04 -6.000000e+00 1.029043e-02 276.28 -2.00 20.00 -2.00 320.79 0.00e+00 4.721 0.002 302.00 328.00 3 3.3178e+00 1.1285e-02 6.6299e-02 -6.0000e+00 5.8798e-01 6.6682e-01 1.3867e-02 5.9120e-02 -6.0000e+00 6.3780e-01 -8.6672e-01 1.2230e-02 2.6690e-02 -6.0000e+00 3.7903e-01 3.8333e-01 6.0205e-03 3.0311e-02 -6.0000e+00 1.6047e-01 6.1104e-05 -4.7008e-03 1.7460e-04 3.7467e-04 -6.0000e+00 1.1777e-02 5.8681e-03 -2.0369e-04 12 8 8 10 0 0 99.99 21.57 -0.13 0.00587 -0.02946 54 13 1 5 0 900.960 26.00 20.00 21.57 7.48 38.1 952.87 -37063 29766 776 36629 -225212 45400 -41057 -9170 -60593 18746 -37648 20700 -47279 710 102710 97158 76151 103634 41511 137987 60104 102999 133350 66592 9706 14860 -8698 35027 39273 -29782 41531 65241 51574 70226 46824 17747 47085 38342 45800 10016 45040 31328 48867 20255 34620 40572 57673 44497 40509 13914 53907 18672 44359 22029 27419 13329 11222 970 18441 4887 19892 11927 24462 10504 26958 10797 12848 13420 10740 8978 4466 2183 1327 -405 -4304 -4581 3996 -5957 -3051 -592 225 -5509 -3487 -5961 -4033 -4894 -2469 -2231 -340 -988 -1236 -2523 -6588 -5589 -4087 -2545 -3107 392 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