File name: Pandora64s1_NewHavenCT_20241117_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241119T081118.0Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241117_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: 20241117 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 20241117T121716.8Z 9087.512000 283 1 48.87 2 85.14 120.89 74.63 292.82 0.00 1 0.00 1 0 25 4.559e-01 6.360e-02 2.172e-01 2.479e-02 8.734708e-01 1.444053e-02 9.986687e-03 -6.000000e+00 2.706117e-01 223.12 -2.00 3.52 -2.00 321.49 0.00e+00 -4.717872e-03 4.737023e-03 2.938475e-03 -6.000000e+00 1.206435e-02 279.89 -2.00 20.00 -2.00 320.84 0.00e+00 10.028 0.019 302.00 328.00 3 -1.0306e-01 4.5302e-02 1.1166e-01 -6.0000e+00 6.6548e-01 1.9773e+00 5.2405e-02 5.1119e-02 -6.0000e+00 7.2249e-01 -1.9534e+00 3.1349e-02 2.2648e-02 -6.0000e+00 4.3135e-01 6.4842e-01 1.6657e-02 7.6521e-03 -6.0000e+00 1.8494e-01 9.7288e-06 -4.7058e-04 7.1479e-04 1.0149e-04 -6.0000e+00 1.3551e-02 2.4961e-03 -1.3819e-04 12 8 8 10 0 0 -28.82 21.43 0.70 0.00250 -0.00104 24 6 1 5 0 2035.890 25.90 20.01 21.43 12.81 38.8 962.63 29496 107915 55406 68714 14416 -2535 -35571 17197 192809 14237 26355 45345 42105 -15093 87413 50530 52898 32734 93382 23549 40929 144324 900000 18239 75601 -10642 29580 -29349 60065 -106244 40994 -20494 23017 -22848 129319 -20110 58603 -18917 57616 25221 96446 -3447 119947 -54671 68532 -11649 100301 -32766 65938 900000 117240 49369 104516 -3985 74389 -9038 52412 -2682 113891 3036 1948 9367 24080 -14597 44298 -361 10775 82803 18111 29941 20598 23951 4865 16359 -18836 133 47013 -330 -25572 29940 -12356 8771 -8672 6559 8058 6360 3280 12623 1988 12367 -14735 23788 -13600 5945 -12581 15532 -4046 13033 -1887 3405 -10869 -383 -16806 3488 -8200 998 -4858 21443 -5134 1339 1160 1853 1550 1032 -2749 -3788 1608 -978 -3965 1198 -2615 3267 3996 3569 4699 -4032 -2038 3284 4396 -4100 1523 -6126 304 -565 3651 -229 2703 -993 4713 -3533 855 -2248 3682 5867 4574 4012 1219 -240 -4727 1385 4659 1175 2084 3287 3607 -2370 5952 5217 5345 4026 5948 2845 3776 4438 900000 2083 4816 -1543 2599 -4126 3298 -30377 3332 -3331 2578 -3814 4261 -2959 4248 -3407 5568 3712 7203 -696 6850 -15411 5871 -2149 5948 -7485 5793 900000 7211 6398 8265 -980 8497 -2402 7368 -613 7505 580 385 1872 4602 -4457 7492 -94 2580 10185 4774 7695 6018 6681 1528 4132 -5958 32 6919 -84 -9830 7760 -5618 3641 -4571 3126 4000 3325 1808 6294 1070 5623 -8253 8830 -7528 3017 -8207 9723 -3251 9945 -1736 2866 -9717 -276 -13502 2613 -6720 782 -4372 16320 -5810 1621 1560 2592 2194 1435 -3852 -5331 2225 -1451 -6339 1814 -3954 4453 5286 4585 5866 -5391 -2724 4721 7267 -8354 3253 -15209 762 -1420 9425 -635 7366 -2830 12341 -9430 2224 -5722 SS 20241117T122853.4Z 9087.520062 286 1 48.34 2 83.29 122.93 76.54 294.44 0.00 1 0.00 1 0 25 3.350e-01 2.851e-02 1.410e-01 5.756e-03 8.016225e-01 3.279481e-03 1.002434e-02 -6.000000e+00 1.988117e-01 223.12 -2.00 3.52 -2.00 321.83 0.00e+00 3.129789e-02 1.747593e-03 9.924246e-04 -6.000000e+00 8.826568e-03 279.89 -2.00 20.00 -2.00 321.36 0.00e+00 7.800 0.009 302.00 328.00 3 2.1801e-01 1.1897e-02 9.2185e-02 -6.0000e+00 4.8903e-01 9.9733e-01 1.4622e-02 6.5076e-02 -6.0000e+00 5.3093e-01 -1.3155e+00 1.2035e-02 2.4849e-02 -6.0000e+00 3.1686e-01 5.5191e-01 5.8420e-03 2.8806e-02 -6.0000e+00 1.3546e-01 7.4501e-05 -3.2927e-03 1.6298e-04 4.5579e-04 -6.0000e+00 9.9493e-03 2.0761e-03 -1.4226e-04 12 8 8 10 0 0 -14.49 21.43 0.28 0.00208 -0.02267 89 21 1 5 0 543.090 25.90 19.99 21.43 13.36 38.9 965.94 7937 37472 25506 -14190 -190117 36271 -54809 -74838 -6896 -22499 -105435 -22696 -23088 54088 55508 35412 26318 81848 27008 65508 40118 98432 37881 11938 -3138 -5861 -30743 12904 -24064 -49692 18031 53373 40808 53308 48544 22515 38333 44162 36514 38027 49492 36984 55401 23723 38706 41959 53061 39596 49617 19483 58391 57784 63920 34443 31031 18990 18346 12375 22484 14140 16844 16078 25870 16729 30309 21277 17984 16155 16965 10545 9472 6212 5584 318 2726 -4526 6086 -7083 -1510 1834 1866 -1065 -180 -3180 187 -1808 877 -1657 2060 -100 -1946 -2865 -6786 -7246 -5499 -3864 -3297 -603 -261 -100 -126 -1884 -5115 -2300 -3301 -3249 -3844 -1331 -2418 -538 -828 -1333 -839 -528 -1144 -1097 64 482 1697 2313 1732 2876 2698 3017 2739 2469 -922 1275 1849 1440 1093 265 -71 69 304 -266 -810 58 563 -612 -748 -2471 150 631 442 -319 -18940 387 -1261 -1890 -81 -290 -2851 -369 -531 789 1028 954 857 1654 955 1544 1126 1381 893 328 -92 -168 -1104 304 -905 -2688 698 1707 1672 1915 1662 986 1506 1785 1762 1963 2389 2117 2798 1704 2498 2755 3276 2978 3564 1849 4555 4897 5381 3690 3404 2306 2181 1496 2398 1681 2114 2322 3894 3107 5088 3865 3468 3305 3834 2830 2687 1822 1559 86 645 -1055 1276 -1850 -447 632 684 -456 -82 -1569 95 -982 482 -946 1122 -53 -988 -1415 -3510 -4148 -3637 -2989 -2973 -561 -257 -96 -122 -1664 -4349 -1962 -3037 -3133 -4047 -1386 -2885 -718 -1230 -2088 -1313 -804 -1696 -1611 96 761 2786 3810 2776 4359 3984 4283 3807 3377 -1309 1972 3297 2703 2274 596 -171 176 772 -700 -2164 156 1464 -1516 -1866 -5909 SS 20241117T123913.0Z 9087.527234 289 1 48.42 2 81.68 124.78 78.22 295.89 0.00 1 0.00 1 0 25 5.371e-01 1.398e-02 7.754e-02 2.400e-03 7.094629e-01 1.344098e-03 8.290168e-03 -6.000000e+00 3.188240e-01 223.12 -2.00 3.52 -2.00 321.33 0.00e+00 8.866577e-03 6.713680e-04 2.501778e-03 -6.000000e+00 1.415013e-02 279.89 -2.00 20.00 -2.00 320.84 0.00e+00 6.493 0.005 302.00 328.00 3 3.6433e-01 4.6130e-03 7.4838e-02 -6.0000e+00 7.8425e-01 2.1341e-01 6.2996e-03 3.8818e-02 -6.0000e+00 8.5134e-01 -2.8029e-01 6.3186e-03 2.4354e-02 -6.0000e+00 5.0809e-01 1.1254e-01 2.9915e-03 1.1906e-02 -6.0000e+00 2.1728e-01 2.9219e-04 -1.2268e-03 7.1253e-05 1.7506e-04 -6.0000e+00 1.5951e-02 7.1146e-04 -1.1082e-04 12 8 8 10 0 0 21.55 21.45 0.22 0.00071 -0.00851 191 46 1 5 0 253.480 25.90 20.00 21.45 14.06 38.8 968.61 -189529 -142117 -172050 -169530 -283734 -131796 -183936 -142282 -136082 -144171 -165551 -115146 -119808 -81439 -71893 -23970 -55042 -9624 -25482 -13907 -53873 -7938 -17659 -28728 -25826 -4436 -46674 -15649 -25141 -41037 -7037 -5408 -1164 3490 -969 -11740 4689 2375 7521 10736 9077 9497 13670 4561 12793 9610 17590 8858 11916 5164 14573 4334 15513 10993 11022 4627 4521 3394 6382 3558 6027 4846 10747 5508 8298 2459 5825 1897 3131 3842 2307 998 821 -470 -325 -2282 -217 -3432 -1687 -330 -796 -861 -1897 -2181 -843 -1248 190 104 1271 407 -1060 -440 -2354 -1724 -907 -128 -1117 582 618 -226 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