File name: Pandora64s1_NewHavenCT_20231216_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240123T151822.1Z 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_20231216_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: 20231216 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 20231216T124651.2Z 8750.532537 60 1 47.31 2 85.24 127.00 121.01 93.76 0.00 1 0.00 1 0 33 4.582e-01 1.471e-01 9.836e-02 3.489e-02 7.566770e-01 1.978760e-02 9.998535e-03 -6.000000e+00 2.715075e-01 222.74 -2.00 3.52 -2.00 317.90 0.00e+00 4.599022e-02 2.480158e-03 2.563988e-03 -6.000000e+00 1.191945e-02 276.83 -2.00 20.00 -2.00 317.37 0.00e+00 10.192 0.020 302.00 328.00 3 -2.2886e-01 5.1814e-02 1.1858e-01 -6.0000e+00 6.6799e-01 2.6434e+00 5.9196e-02 9.2092e-02 -6.0000e+00 7.2576e-01 -2.0353e+00 3.2154e-02 1.8360e-02 -6.0000e+00 4.3246e-01 6.2888e-01 1.4784e-02 3.3508e-02 -6.0000e+00 1.8454e-01 6.6990e-06 -7.5166e-03 8.7293e-04 3.7060e-04 -6.0000e+00 1.3603e-02 1.8584e-03 -9.9064e-05 12 9 8 11 40 0 32.60 21.45 0.16 0.00186 -0.05462 12 3 1 5 0 3942.490 25.90 20.01 21.45 9.74 36.8 952.46 143071 133280 142060 153997 -57593 81838 60750 -16792 -6935 -2908 -43749 30041 31784 30243 107302 89725 76247 158755 89655 143545 97340 130749 102578 57614 -11230 -14990 -24147 -2514 -7549 -63831 14609 36590 52031 23574 35698 45714 3536 -6842 19173 -11927 24107 2309 11943 -36043 13311 7792 39912 -3205 42244 -28787 60546 81845 82627 1028 55654 -21967 22176 -21479 9517 -3525 6471 1044 13976 19171 55032 -16583 29328 3296 25407 13291 37233 9020 6311 -11227 -18946 -17790 27982 -29778 -31182 -7451 -4598 -54840 -1645 7006 8824 1423 28359 6649 19500 4378 -19626 7810 -30129 -21293 -14379 20411 5421 3824 2506 5930 -984 3122 -10056 4083 -10495 -3823 -447 38573 -2675 5149 12198 8576 2295 13989 -4022 -6485 -2323 -3070 -4223 9329 5211 15368 4330 11120 11627 -1089 -10251 5170 -4212 -772 -3160 -7534 -2437 -3486 -186 -2010 616 2002 5217 994 -1543 -483 35693 39296 37696 30735 -64542 19674 13502 -5855 -1872 -627 -12700 5110 6920 9328 21120 23198 24210 24689 25417 23719 22471 17792 15205 10640 -3107 -3740 -6134 -544 -1853 -30401 4042 10136 13528 7485 9282 9775 1126 -2266 5358 -4328 6502 774 3773 -17657 4367 2802 10669 -1272 11600 -15343 14860 16905 17066 448 14200 -10512 6790 -9395 2891 -1225 2154 408 5400 7780 16047 -8838 10405 1514 9878 6362 14386 4537 3036 -5783 -9300 -7652 7276 -14472 -17806 -4001 -2737 -55969 -1119 4477 5768 965 16125 4718 11941 2957 -14466 4384 -22345 -16351 -11022 13937 4672 3834 2734 6133 -1011 2733 -9077 3413 -10021 -3537 -426 28870 -3137 6295 15354 11748 3341 17577 -5792 -9339 -3292 -4589 -6714 13224 7481 18996 5765 13341 13396 -1398 -14205 6661 -6868 -1377 -6379 -17035 -5549 -8523 -469 -5360 1617 5257 13135 2482 -3717 -1086 SS 20231216T125825.0Z 8750.540567 63 1 47.92 2 83.53 129.04 118.93 95.47 0.00 1 0.00 1 0 17 5.866e-01 4.760e-02 2.651e-01 1.670e-02 8.631581e-01 9.684778e-03 1.012325e-02 -6.000000e+00 3.490572e-01 222.74 -2.00 3.52 -2.00 321.73 0.00e+00 7.233807e-03 3.999375e-03 3.431139e-03 -6.000000e+00 1.596680e-02 276.83 -2.00 20.00 -2.00 321.23 0.00e+00 8.043 0.010 302.00 328.00 3 1.4435e+00 3.1848e-02 9.2499e-02 -6.0000e+00 8.5700e-01 1.4540e+00 3.7434e-02 4.6053e-02 -6.0000e+00 9.3148e-01 -1.6759e+00 2.6074e-02 2.4184e-02 -6.0000e+00 5.5522e-01 6.3324e-01 1.3468e-02 8.5477e-03 -6.0000e+00 2.3681e-01 1.5086e-05 -2.0912e-03 4.7447e-04 1.8734e-04 -6.0000e+00 1.7459e-02 9.5714e-04 -1.3704e-04 12 8 8 10 0 0 98.98 21.45 0.13 0.00096 -0.01476 26 6 1 5 0 1843.010 26.00 20.00 21.45 10.24 36.9 954.54 31300 6173 13652 44328 -65192 22615 -56188 -33901 103398 302392 -60033 146634 -33110 57962 10976 134703 4230 181991 -2875 342501 -8429 900000 90710 900000 -40071 900000 -65234 54545 -32355 -79619 -30604 123696 17945 85257 -10426 130647 9834 56135 69491 61421 58017 80849 62838 -6490 12638 58296 30081 8098 48056 -24580 56411 41752 94335 7604 51507 19708 35513 7373 38643 -9375 24033 -5870 51425 15513 71209 5732 36142 35524 44865 3191 36913 1379 16406 -9827 6764 -14685 69580 -14376 7701 -4177 9795 -33924 11717 -8253 7282 -3227 10562 -1052 11140 -2344 -4237 -7517 -10178 -12051 2223 5193 -1715 2117 2940 -2820 -3489 -2336 -7370 -808 -4691 -6224 -6480 11849 -4013 3890 380 535 -2607 2055 -1825 -47 -541 2172 -2288 1572 -2576 5744 -45 7233 4902 4601 -5285 6641 -1750 1195 -2428 -985 -1971 1566 1436 1457 -1218 1046 1270 -237 -2733 -1278 1556 396 765 1612 -5598 779 -3860 -1839 1682 4920 -4070 2386 -2454 2219 744 3287 352 2961 -257 5572 -701 900000 2859 900000 -3984 900000 -7547 1997 -2663 -11154 -3126 3396 1460 3641 -988 3188 809 3277 4057 4291 4386 4952 4631 -880 1476 4296 2965 1031 4277 -4577 5453 5035 7132 1361 6359 3171 5064 1246 4771 -1729 3496 -1204 7087 3197 9064 1306 6272 6518 8394 1004 8641 435 4404 -3118 1614 -3942 8457 -4132 2095 -1521 3586 -20654 4846 -4389 3517 -1802 5291 -593 5437 -1236 -2137 -3804 -5386 -7203 1348 3593 -1401 1892 2743 -2709 -3122 -1942 -6027 -641 -3916 -5519 -6241 10439 -4710 4820 543 803 -3876 2996 -2678 -67 -803 3277 -3600 2502 -4111 8046 -65 9379 6365 5876 -7519 9410 -2983 2240 -5227 -2244 -4856 3809 3734 3900 -3381 2858 3370 -598 -6928 -3006 SS 20231216T130848.0Z 8750.547778 66 1 48.39 2 82.04 130.91 117.06 96.98 0.00 1 0.00 1 0 25 3.496e-01 2.575e-02 1.117e-01 3.992e-03 7.713529e-01 2.256207e-03 9.478756e-03 -6.000000e+00 2.072653e-01 222.74 -2.00 3.52 -2.00 321.57 0.00e+00 2.405454e-02 1.114730e-03 2.064053e-03 -6.000000e+00 9.095365e-03 276.83 -2.00 20.00 -2.00 321.11 0.00e+00 6.748 0.006 302.00 328.00 3 7.8560e-01 7.6712e-03 7.9273e-02 -6.0000e+00 5.0995e-01 6.7160e-01 9.8456e-03 4.8104e-02 -6.0000e+00 5.5394e-01 -8.9777e-01 9.1287e-03 2.6884e-02 -6.0000e+00 3.3008e-01 3.7804e-01 4.3798e-03 2.3879e-02 -6.0000e+00 1.4093e-01 1.2452e-04 -2.2626e-03 1.1409e-04 3.5017e-04 -6.0000e+00 1.0381e-02 -6.6344e-04 -5.7119e-05 12 9 8 11 8 0 65.73 21.46 0.30 -0.00066 -0.01767 105 25 1 5 0 460.790 26.00 20.00 21.46 10.75 36.8 956.77 -87420 -18037 -43711 -49292 -241506 -64495 -82524 -105101 -21986 -85227 -111808 -96543 -14062 -46258 15771 24984 13281 47627 26048 43229 13749 25433 54802 18346 -5391 -13039 -9098 -20767 12886 -36399 34081 36175 32622 33458 25956 17077 41929 15138 27340 20673 30975 31395 27450 23377 33557 31502 40653 32066 32565 15715 36514 51021 38260 28367 20744 17253 14902 7898 14613 15375 13524 11588 17842 18263 20733 12841 10284 11159 10033 10731 6374 8107 2145 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