File name: Pandora64s1_NewHavenCT_20240509_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240515T003025.1Z 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_20240509_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: 20240509 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 20240509T101244.3Z 8895.425513 55 1 49.47 2 84.90 71.07 91.72 54.41 0.00 1 0.00 1 0 25 5.185e-01 8.903e-02 2.282e-01 3.229e-02 1.102816e+00 1.978073e-02 1.262002e-02 -6.000000e+00 3.190546e-01 230.66 -2.00 3.52 -2.00 321.37 0.00e+00 -5.021050e-03 5.279469e-03 9.524453e-04 -6.000000e+00 1.440184e-02 282.83 -2.00 20.00 -2.00 320.60 0.00e+00 9.667 0.017 302.00 328.00 3 -8.9629e-02 5.8777e-02 1.1309e-01 -6.0000e+00 7.9925e-01 2.8739e+00 6.8080e-02 5.6234e-02 -6.0000e+00 8.6355e-01 -2.4117e+00 3.9320e-02 2.7817e-02 -6.0000e+00 5.0971e-01 6.7520e-01 2.0524e-02 8.2171e-03 -6.0000e+00 2.1471e-01 6.7663e-06 -2.1303e-04 8.3361e-04 1.2430e-04 -6.0000e+00 1.5462e-02 -5.2664e-04 -2.2415e-04 12 8 8 10 0 0 6.11 21.61 0.55 -0.00053 -0.00213 17 4 1 5 0 2909.250 26.11 20.00 21.61 21.13 38.9 1018.16 34448 77440 45937 11454 900000 -5942 9092 -41789 900000 8955 -27456 59182 14565 27071 139172 102816 63467 71315 51509 72049 65919 900000 260592 21439 177232 68114 -18967 -24759 -13467 -108633 -18067 20001 45330 27816 31354 42191 20782 24394 77026 35723 56436 58776 89077 -31474 -88 9949 64032 -10632 81050 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5949 4523 -2693 5307 -5860 -3030 3628 17266 6041 8764 5403 1993 -3121 5230 -13227 4465 -2228 -7483 -11675 22244 1711 3919 10078 1244 -928 2004 -5465 -7930 3028 -4698 -6924 1180 -9479 4160 -3338 2936 7736 -6753 -8017 13550 5186 -1663 -1706 -13908 -6106 789 9010 -1323 7110 3834 7751 -5687 -4788 475 SS 20240509T102441.3Z 8895.433811 58 1 48.62 2 82.76 72.97 89.93 56.28 0.00 1 0.00 1 0 25 4.257e-01 3.041e-02 1.667e-01 5.683e-03 9.963504e-01 3.404279e-03 1.222995e-02 -6.000000e+00 2.600539e-01 230.66 -2.00 3.52 -2.00 322.15 0.00e+00 4.025792e-02 2.011418e-03 2.108114e-03 -6.000000e+00 1.135595e-02 282.83 -2.00 20.00 -2.00 321.72 0.00e+00 7.316 0.007 302.00 328.00 3 2.5935e-01 1.3323e-02 1.0412e-01 -6.0000e+00 6.5038e-01 1.4747e+00 1.6249e-02 1.0305e-01 -6.0000e+00 7.0178e-01 -1.8594e+00 1.2746e-02 2.7714e-02 -6.0000e+00 4.1705e-01 7.5378e-01 6.1550e-03 3.7349e-02 -6.0000e+00 1.7618e-01 7.5269e-05 -3.4975e-03 1.4741e-04 6.1191e-04 -6.0000e+00 1.2671e-02 -2.6097e-03 -8.4228e-05 12 8 8 10 0 0 -1.40 21.62 0.26 -0.00261 -0.02889 90 22 1 5 0 540.210 26.00 20.00 21.62 21.39 39.0 1020.16 19542 42789 106749 14452 -171822 43152 -32338 -47690 -24327 -57165 -81984 -60337 4729 7204 33155 92122 54701 121780 37986 109779 49229 103578 51369 66177 30374 61004 -27309 24095 15800 -4551 50465 100317 67597 83533 46108 36583 47566 61036 59114 52168 62018 62377 54613 42776 60088 68656 70741 68383 53380 40994 66647 57342 89353 48713 51205 36404 28941 26762 39252 24886 36808 28790 36708 44850 50330 26448 33004 28618 26156 22738 23563 16691 13111 5245 5888 -3826 15538 -5333 5080 8330 4395 -5027 4463 -2566 2024 -3810 3696 -448 2994 730 -1879 -2230 -4616 -9802 -6574 -3541 -3209 -852 793 -637 -660 -3338 -7313 -3720 -2413 -5759 -4545 -3318 -3138 -2259 -785 -2015 -1036 -838 -1474 -1647 414 883 1840 3117 1727 3388 2887 4007 3253 2499 -806 884 1677 1512 1502 654 -126 -39 41 -227 -891 320 588 -546 -694 -2731 433 819 1183 313 -17613 502 -586 -841 -324 -950 -1726 -1304 79 168 790 1480 1425 1754 1148 1703 1255 1320 968 917 522 710 -741 401 324 -146 1258 1834 1948 2037 1456 1216 1450 1725 1834 1850 2062 2143 2149 1967 2431 2701 2901 3107 3017 2839 3951 4035 4803 3705 3714 2952 2420 2157 2958 2006 3141 2785 3828 4948 5552 3717 4522 4296 4467 4467 4771 3590 2728 1065 1053 -688 2325 -1096 1152 2245 1325 -1903 1657 -1070 851 -1768 1645 -210 1337 318 -789 -912 -1976 -4956 -3861 -2447 -2636 -735 726 -582 -558 -2775 -5761 -2863 -1948 -5034 -3944 -3159 -3437 -2851 -1105 -3072 -1596 -1276 -2204 -2455 629 1404 2816 5072 2719 4955 4097 5428 4333 3306 -1111 1353 2800 2911 3250 1549 -302 -99 112 -641 -2544 907 1619 -1417 -1670 -6676 SS 20240509T103504.5Z 8895.441025 61 1 48.44 2 80.89 74.60 88.34 57.88 0.00 1 0.00 1 0 25 6.860e-01 1.872e-02 7.459e-02 2.220e-03 8.643861e-01 1.291101e-03 1.007818e-02 -6.000000e+00 4.190576e-01 230.66 -2.00 3.52 -2.00 321.60 0.00e+00 1.114080e-02 6.987166e-04 3.937031e-03 -6.000000e+00 1.829794e-02 282.83 -2.00 20.00 -2.00 321.12 0.00e+00 5.988 0.004 302.00 328.00 3 4.2849e-01 4.6902e-03 7.7371e-02 -6.0000e+00 1.0480e+00 4.0619e-01 6.6330e-03 4.9450e-02 -6.0000e+00 1.1308e+00 -5.6212e-01 6.5897e-03 3.0715e-02 -6.0000e+00 6.7201e-01 2.3493e-01 3.0257e-03 1.4638e-02 -6.0000e+00 2.8395e-01 3.4009e-04 -1.4390e-03 6.0066e-05 2.4865e-04 -6.0000e+00 2.0415e-02 -3.5707e-03 -7.5727e-05 12 8 8 10 0 0 -8.85 21.63 0.16 -0.00357 -0.01438 213 51 1 5 0 227.400 26.11 20.00 21.63 22.00 38.8 1022.76 -192970 -216644 -160981 -222696 -327004 -244416 -211203 -211010 -174763 -191509 -171946 -183689 -142600 -128004 -83259 -78287 -64116 -31853 -39732 -34416 -36715 -29111 -27836 -56758 -44991 -42140 -58865 -43274 -45496 -56402 -16856 19738 7957 21377 525 2692 -2614 22101 4953 21875 18921 27870 18467 11901 12500 25049 21468 20651 13054 13025 21816 33407 24102 20590 16542 15596 11998 13054 11455 10734 10986 11487 13766 16120 15212 9729 9308 7154 7663 7004 5508 5630 2468 2046 864 -1165 385 -1681 -717 526 -829 -1320 -724 -2008 -884 -1164 268 -144 1390 581 -397 -1764 -3029 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