File name: Pandora64s1_NewHavenCT_20231220_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240123T152338.9Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231220_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: 20231220 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 20231220T124917.3Z 8754.534227 75 1 49.51 2 85.25 127.16 133.59 28.18 0.00 1 0.00 1 0 17 5.237e-01 7.205e-02 2.254e-01 3.012e-02 1.082980e+00 1.788126e-02 1.248627e-02 -6.000000e+00 3.106387e-01 222.87 -2.00 3.52 -2.00 321.10 0.00e+00 -8.847762e-03 4.275161e-03 3.121274e-03 -6.000000e+00 1.361166e-02 276.58 -2.00 20.00 -2.00 320.41 0.00e+00 10.215 0.020 302.00 328.00 3 -5.8837e-01 5.1250e-02 1.1819e-01 -6.0000e+00 7.6457e-01 2.7673e+00 5.9282e-02 6.2721e-02 -6.0000e+00 8.3047e-01 -2.3315e+00 3.3845e-02 2.6948e-02 -6.0000e+00 4.9474e-01 6.8656e-01 1.7771e-02 1.1002e-02 -6.0000e+00 2.1113e-01 7.5821e-06 7.5496e-05 7.5326e-04 1.4356e-04 -6.0000e+00 1.5551e-02 3.7072e-04 -1.2214e-05 12 9 8 11 8 0 -8.00 21.46 0.64 0.00037 0.00094 21 5 1 5 0 2357.420 26.00 20.01 21.46 5.74 36.4 933.74 15881 58352 40037 11407 -7017 -23129 -12879 -40677 115990 -31867 -8738 41557 58240 -43 75781 7601 49947 162245 16757 67082 28298 192591 254742 90418 40708 42906 -20496 -28058 26140 -100063 1946 12069 18192 11670 23923 20408 43958 -10682 33723 22864 65677 33114 19081 -30075 5218 11293 25457 -30233 11990 -44458 55307 314814 137390 941 74875 17833 50631 17747 12284 10462 24445 -14208 37236 23537 71222 -12256 14968 54551 49469 10956 45199 12757 -7955 -1918 -7688 -11450 92641 -4232 -9431 16472 3633 -45020 15837 761 11178 -10221 20581 4179 4426 14344 -10608 6235 -12314 -5926 4317 13995 -1989 16842 4626 392 -13616 481 -11799 6172 -6165 -13392 -7694 27850 966 8746 3026 1013 -2907 5161 893 -5797 1475 -168 -1323 821 -6586 5594 -115 5573 6240 -1045 -8373 6032 4350 -3195 -618 -1679 -2570 -1466 944 1052 1294 1600 2450 -1811 -494 -929 3031 6854 4997 1507 -927 -3396 -1733 -7466 4954 -5459 -1197 4216 5753 -8 7890 1507 6478 7363 2789 6805 3777 5656 7481 6517 4782 4696 -3776 -4869 2512 -34037 301 1836 2768 1776 2874 2506 4577 -2196 5132 4273 8241 5658 3566 -8430 961 1869 3602 -7668 2081 -14598 7382 9245 9169 259 9994 4237 8380 3743 2460 1983 4046 -3755 6561 5215 9887 -3893 3796 9903 10565 3744 11222 4257 -2973 -594 -2176 -3026 9522 -1141 -3172 5057 1465 -30627 6807 396 5461 -6303 9395 2198 2221 6050 -5381 2630 -6542 -3354 2605 9004 -1592 12612 4064 345 -12495 366 -9355 4201 -4986 -11110 -6533 20074 966 9395 3880 1409 -4289 6933 1220 -8398 2050 -246 -2018 1197 -9735 6886 -145 6438 7040 -1248 -11085 8000 6973 -6363 -1350 -4042 -6787 -4140 2569 2936 3632 4482 7104 -5079 -1267 -2244 SS 20231220T130058.1Z 8754.542339 78 1 48.59 2 83.53 129.22 132.49 31.70 0.00 1 0.00 1 0 17 3.180e-01 3.092e-02 1.659e-01 1.139e-02 9.832727e-01 6.639583e-03 1.125606e-02 -6.000000e+00 1.889315e-01 222.87 -2.00 3.52 -2.00 322.04 0.00e+00 5.191006e-03 3.099365e-03 4.465168e-03 -6.000000e+00 8.432475e-03 276.58 -2.00 20.00 -2.00 321.58 0.00e+00 8.045 0.010 302.00 328.00 3 7.2004e-01 2.2701e-02 9.7098e-02 -6.0000e+00 4.6610e-01 1.5542e+00 2.7465e-02 5.5787e-02 -6.0000e+00 5.0669e-01 -1.8751e+00 2.0306e-02 2.9336e-02 -6.0000e+00 3.0079e-01 7.1786e-01 1.0407e-02 9.4709e-03 -6.0000e+00 1.2816e-01 2.7794e-05 -2.0431e-03 3.0363e-04 1.8699e-04 -6.0000e+00 9.4549e-03 3.0267e-04 -8.3623e-05 12 8 8 10 0 0 98.33 21.47 0.32 0.00030 -0.01505 53 13 1 5 0 916.630 26.00 20.02 21.47 6.15 36.4 935.72 -28110 14899 8218 -52104 142593 -50373 -28295 -104373 900000 -91746 -24492 -45052 -18664 -43728 43509 21503 23601 44642 52063 6471 4945 58191 87577 -1951 6152 -21617 -8742 -44462 -20059 -91805 -10309 -3020 21848 24702 33984 2378 47080 36575 14767 56872 54162 30263 57586 -6352 4444 31652 78308 17294 22743 -6873 35409 74790 69394 30556 41677 37622 13717 33571 40361 15043 7437 14077 29998 38936 43628 26635 16975 30258 23779 17101 19560 22866 14583 15522 -6405 -2563 22244 -4059 -5068 2798 -2261 -12906 762 -2146 1389 1556 5481 2314 4435 5659 -6488 -4481 -8724 -11754 -3126 563 -3775 -779 -1029 -3910 -4419 -3669 -7273 -2758 -6550 -5716 -3423 1008 -1469 -141 865 -1502 -265 -491 409 -1967 1063 -433 1957 1878 532 2286 3233 3782 4574 1484 -1081 1787 2106 58 672 -1745 -47 -396 1368 214 -316 388 1152 -216 -895 -3223 -1703 587 324 -3104 1584 -2238 -971 -7587 900000 -5743 -791 -2092 -829 -3046 1494 1020 1144 1803 2082 353 250 1745 1945 -97 301 -1222 -447 -2738 -1069 -10381 -624 -192 1310 1399 1585 151 2039 1990 1044 3221 3308 2386 3454 -635 390 2320 3653 1556 2046 -819 3382 5233 5472 3424 4250 4026 1828 3457 3989 1686 931 1833 3786 5032 5550 4007 2948 4888 4610 3936 4582 5148 3327 3166 -1436 -502 3414 -889 -1341 822 -815 -5423 329 -919 608 706 2455 1069 2136 2543 -3098 -2058 -4325 -6200 -1794 370 -3029 -695 -974 -3713 -3893 -2842 -5405 -2016 -5286 -4788 -3048 952 -1637 -180 1136 -2149 -382 -701 565 -2756 1496 -645 2966 2831 775 3355 4565 5138 6045 1992 -1512 2759 3526 113 1464 -4220 -119 -1018 3686 599 -895 1096 3129 -553 -2305 -7943 SS 20231220T131105.6Z 8754.549371 81 1 48.48 2 82.08 131.04 131.46 34.64 0.00 1 0.00 1 0 17 5.929e-01 2.047e-02 1.035e-01 2.961e-03 8.718428e-01 1.695072e-03 1.012870e-02 -6.000000e+00 3.515653e-01 222.87 -2.00 3.52 -2.00 321.70 0.00e+00 1.517135e-02 8.915144e-04 2.247546e-03 -6.000000e+00 1.540802e-02 276.58 -2.00 20.00 -2.00 321.28 0.00e+00 6.779 0.006 302.00 328.00 3 1.7195e-01 5.9420e-03 8.2283e-02 -6.0000e+00 8.6529e-01 5.6454e-01 8.4243e-03 4.9652e-02 -6.0000e+00 9.4000e-01 -7.2357e-01 8.7501e-03 2.9682e-02 -6.0000e+00 5.5999e-01 2.9692e-01 4.0621e-03 1.8540e-02 -6.0000e+00 2.3890e-01 2.0792e-04 -1.8463e-03 8.0502e-05 2.7359e-04 -6.0000e+00 1.7604e-02 3.7253e-04 -9.9936e-05 12 8 8 10 0 0 54.97 21.47 0.24 0.00037 -0.01350 180 43 1 5 0 269.290 26.00 20.01 21.47 6.52 36.4 937.26 -169474 -160274 -127925 -192259 -316908 -173102 -159136 -198498 -129037 -194574 -158918 -145133 -105346 -128977 -48714 -61312 -19504 -23441 -35006 -18353 -35403 -31870 -8177 -40471 -36897 -37072 -44589 -59927 -34629 -59484 -14460 -2433 8929 14041 2150 1415 30111 8494 31542 23966 30797 31613 25336 15737 28838 28996 27171 26623 22474 18581 31283 26083 33926 26337 22135 19736 14314 15212 13631 16371 12995 13861 18434 19146 20147 13234 11484 9661 9619 8786 8032 7094 4171 3528 -538 405 1631 -2657 -321 937 -315 -1683 -1266 -2389 -1573 -1122 -253 219 1093 59 -1781 -1637 -3599 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