File name: Pandora64s1_NewHavenCT_20240607_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240608T045902.6Z 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_20240607_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: 20240607 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 20240607T100457.1Z 8924.420105 66 1 47.30 2 83.17 65.50 88.28 53.77 0.00 1 0.00 1 0 25 5.598e-01 5.298e-02 2.538e-01 1.900e-02 9.209460e-01 1.128576e-02 1.215794e-02 -6.000000e+00 3.442200e-01 232.52 -2.00 3.52 -2.00 321.68 0.00e+00 2.455566e-02 4.627011e-03 6.577013e-03 -6.000000e+00 1.511547e-02 285.78 -2.00 20.00 -2.00 321.08 0.00e+00 7.679 0.008 302.00 328.00 3 1.6224e+00 3.7564e-02 9.2517e-02 -6.0000e+00 8.6398e-01 1.8445e+00 4.3905e-02 4.9021e-02 -6.0000e+00 9.3056e-01 -1.8734e+00 2.7018e-02 2.8400e-02 -6.0000e+00 5.5312e-01 6.5963e-01 1.4137e-02 1.7216e-02 -6.0000e+00 2.3338e-01 1.2743e-05 -3.4258e-03 5.0936e-04 3.9744e-04 -6.0000e+00 1.6670e-02 -3.6759e-03 -1.9173e-04 12 8 8 10 0 0 -25.85 21.50 -0.09 -0.00368 -0.02942 17 4 1 5 0 2781.920 26.00 20.01 21.50 26.24 39.6 1041.38 -18448 117151 75166 77678 -37261 11557 -57171 10178 9535 109013 -60392 234737 -16872 -13291 27699 44534 34335 -7345 40893 154133 107724 306086 196334 108710 33983 -8951 -17620 4019 -29422 -96790 95 17699 68836 783 -4116 28442 74831 -20932 120380 6777 54533 4287 73674 -47705 33224 9309 80267 11611 95977 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7084 -4455 4234 -2322 -1450 -4436 -1416 -13772 -103 -5796 -2204 -9667 11867 -1937 6173 1313 -876 -2078 6461 -1794 -847 417 1534 -1142 6077 -3656 7183 59 7207 1979 1457 -6969 3991 4052 -613 -450 -6862 -3125 -54 5258 1374 1946 -4094 5001 -970 -724 -4782 SS 20240607T101546.4Z 8924.427620 69 1 47.93 2 81.31 67.18 86.69 55.42 0.00 1 0.00 1 0 25 4.706e-01 3.584e-02 1.293e-01 5.880e-03 8.010006e-01 3.431542e-03 1.266403e-02 -6.000000e+00 2.896009e-01 232.52 -2.00 3.52 -2.00 321.64 0.00e+00 4.569574e-02 1.730728e-03 8.191643e-03 -6.000000e+00 1.271071e-02 285.78 -2.00 20.00 -2.00 321.12 0.00e+00 6.244 0.004 302.00 328.00 3 1.6462e+00 1.2103e-02 7.6401e-02 -6.0000e+00 7.2690e-01 1.1446e+00 1.4383e-02 4.9204e-02 -6.0000e+00 7.8264e-01 -1.4834e+00 1.0219e-02 3.0249e-02 -6.0000e+00 4.6520e-01 6.1380e-01 5.1231e-03 3.3608e-02 -6.0000e+00 1.9651e-01 6.6431e-05 -3.2463e-03 1.6026e-04 6.7990e-04 -6.0000e+00 1.4012e-02 -6.6575e-03 -3.5783e-05 12 8 8 10 0 0 29.61 21.51 0.22 -0.00666 -0.03105 51 12 1 5 0 939.720 26.00 20.00 21.51 27.05 39.4 1044.95 72216 73814 108171 46586 -146167 -2835 15625 -43259 -5269 -55912 -51175 -65360 45216 10566 78108 107492 92380 140449 121137 138886 88097 148575 166777 52762 25275 1188 19968 -2850 23052 -24371 58952 60260 69025 67611 73658 48562 82242 58201 63629 54026 58199 54316 64323 25470 48392 56421 80338 62720 55618 27710 63628 41005 68338 40713 44385 24662 23380 15008 28247 15953 21788 26312 35760 29036 37095 19983 24088 21488 15954 13823 9193 11564 6162 2024 -888 -2738 5766 -4519 -5137 3409 -1324 -6862 -1572 -1708 -2456 -5981 -1872 -1722 -558 -911 -2559 -4775 -9798 -9785 -5595 -3719 -4246 -201 753 -237 198 -1850 -5193 -2971 -3729 -5127 -3856 -1692 -2859 -1342 -194 -814 -1337 -1091 -324 -1095 340 431 2159 2837 2571 3130 3111 4507 4031 3235 -725 1507 1764 1269 1817 736 373 -199 482 -574 -1103 -455 10 -1023 -647 -2316 1619 1808 1917 1336 -21370 -87 318 -1308 -93 -1457 -1227 -2248 830 358 1791 2241 2504 2818 2715 2787 2434 2130 1721 1422 698 38 572 -97 685 -1461 2028 2450 2914 2890 2649 2151 2923 2518 2786 2760 2942 2973 3420 2111 3380 3882 4606 4577 4580 3206 5605 4852 6411 5178 5275 3419 3144 2089 3372 2237 3157 4183 5964 5369 6593 4144 4868 4579 3941 3877 2815 3453 1834 574 -233 -667 1278 -1205 -1649 1217 -575 -3557 -828 -943 -1337 -3529 -1102 -1029 -327 -555 -1483 -2703 -5796 -5813 -3736 -2910 -3935 -207 823 -257 199 -1698 -4546 -2596 -3505 -5119 -4116 -1938 -3473 -1826 -290 -1286 -2130 -1691 -482 -1621 515 686 3569 4729 4168 4818 4637 6377 5558 4405 -1020 2287 3086 2352 3701 1621 878 -469 1203 -1495 -2913 -1207 26 -2524 -1589 -5439 SS 20240607T102917.2Z 8924.437005 74 1 48.40 2 78.95 69.24 84.65 57.43 0.00 1 0.00 1 0 25 4.682e-01 1.304e-02 7.142e-02 2.045e-03 6.938722e-01 1.172115e-03 8.142375e-03 -6.000000e+00 2.881825e-01 232.52 -2.00 3.52 -2.00 321.01 0.00e+00 5.883853e-03 5.448599e-04 2.824970e-03 -6.000000e+00 1.264820e-02 285.78 -2.00 20.00 -2.00 320.43 0.00e+00 5.031 0.002 302.00 328.00 3 1.5128e+00 3.8976e-03 6.3724e-02 -6.0000e+00 7.2335e-01 1.0043e-01 5.1750e-03 3.9677e-02 -6.0000e+00 7.7880e-01 -1.6491e-01 4.9329e-03 2.2206e-02 -6.0000e+00 4.6292e-01 6.2265e-02 2.3651e-03 8.2798e-03 -6.0000e+00 1.9556e-01 3.6447e-04 -9.1908e-04 5.9026e-05 1.3187e-04 -6.0000e+00 1.3943e-02 -7.0752e-03 -4.1379e-05 12 8 8 10 0 0 32.06 21.50 0.22 -0.00708 -0.01398 155 37 1 5 0 312.210 26.00 20.01 21.50 27.91 39.6 1049.62 -165718 -138920 -123150 -133017 -289763 -137392 -147047 -131920 -84652 -129536 -123152 -95808 -73800 -87030 -48373 -50904 -29005 -25384 -26702 -27644 -19187 -18111 -9253 -24649 -482 -14544 -10034 -32005 -6175 -35909 -2317 -4312 6526 266 2849 -2592 4344 -733 7526 1659 7410 7295 7589 1327 5847 11286 9543 6667 4818 1026 8235 12066 8490 5721 5521 2388 3166 978 3503 2604 3482 3118 4557 5825 6147 1989 3541 1336 1984 3354 1368 2177 67 555 -628 -1295 -189 -2176 -1079 81 -2145 -1853 -1747 -2335 -1174 -612 -448 556 937 420 -259 -84 -1506 -744 -219 -56 -638 863 338 -474 -368 -1741 -2705 -139 -91 -1735 -655 -716 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