File name: Pandora64s1_NewHavenCT_20240813_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240814T050812.0Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240813_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: 20240813 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 20240813T103224.9Z 8991.439177 54 1 48.73 2 84.93 75.22 161.42 331.95 0.00 1 0.00 1 0 25 9.595e-01 8.170e-02 3.179e-01 2.944e-02 1.095780e+00 1.822531e-02 1.773597e-02 -6.000000e+00 5.894816e-01 231.89 -2.00 3.52 -2.00 321.26 0.00e+00 7.252122e-02 5.823578e-03 3.457384e-03 -6.000000e+00 2.760853e-02 290.00 -2.00 20.00 -2.00 320.72 0.00e+00 9.686 0.017 302.00 328.00 3 -5.0975e-01 5.9295e-02 1.2091e-01 -6.0000e+00 1.4769e+00 3.2831e+00 6.7362e-02 1.2024e-01 -6.0000e+00 1.5914e+00 -3.0477e+00 3.1664e-02 2.6577e-02 -6.0000e+00 9.4650e-01 9.9897e-01 1.9086e-02 4.6637e-02 -6.0000e+00 4.0277e-01 7.9026e-06 -3.9579e-03 6.8905e-04 9.6110e-04 -6.0000e+00 2.8748e-02 9.8466e-04 -1.0553e-04 12 9 8 11 8 0 16.27 21.46 0.52 0.00098 -0.02876 22 5 1 5 0 2214.600 25.90 19.97 21.46 23.67 40.1 1015.16 220565 257686 387989 284172 -27876 169277 94499 47549 77413 900000 -36773 307036 79404 104616 125456 212094 173070 290178 114220 174366 143139 900000 252292 85807 69023 18135 -13856 -35618 37205 -86482 44371 61146 95135 94389 64484 75351 52731 10116 21247 -12557 254905 6492 73112 -12609 32448 36456 352090 37354 92996 -38405 134810 163835 900000 -746 73825 -12205 56808 -25855 188468 -15284 -37088 -8677 64826 54868 112971 -3154 49493 54536 74651 216 32236 7559 32371 1213 -12614 -18249 78417 -7257 -25016 -6582 20658 -19894 6106 -218 3329 155 470 -5325 23328 12144 -16847 -4270 -32383 -17621 -16272 16062 -8976 13857 9085 2919 -4867 -2312 -23882 2999 -12279 -3818 -5046 33779 1096 7237 7345 4842 -3958 2762 -1288 -6425 -2777 1449 -1348 4111 2252 6768 -352 7497 9130 -2775 -9147 4933 528 -2488 -286 -2104 -1010 -86 1512 -1927 0 670 2787 749 -596 -2446 25312 21563 11131 13588 -19748 12141 9037 4775 4442 900000 -4220 8809 6420 9254 12298 11617 15348 8325 16385 13189 11947 900000 7238 4924 3420 1230 -1193 -3995 2426 -24398 5208 7336 8933 8370 6391 5896 4814 1346 2438 -1965 7313 813 4958 -2105 3639 4184 10101 4871 7276 -10743 7735 7991 900000 -167 7124 -2483 5186 -4855 5407 -2511 -8319 -1697 7101 7585 9134 -806 7616 8108 9735 64 6894 1972 5910 263 -2698 -3712 6749 -1514 -7764 -2094 5819 -9443 2357 -92 1389 68 208 -2486 7970 4371 -7514 -1615 -16554 -8778 -8909 8546 -6782 9774 7233 2414 -3968 -1586 -18100 1885 -8660 -2583 -3776 20968 1009 7354 8499 6159 -5620 3638 -1734 -9124 -3991 2103 -2101 6015 3171 8527 -458 8694 10172 -3443 -12312 6628 894 -5080 -650 -4927 -2538 -231 4260 -5792 0 1991 7903 2021 -1507 -5851 SS 20240813T104419.7Z 8991.447450 57 1 48.33 2 82.76 77.13 162.31 339.75 0.00 1 0.00 1 0 25 6.728e-01 3.733e-02 2.505e-01 9.505e-03 9.628324e-01 5.686371e-03 1.422883e-02 -6.000000e+00 4.128132e-01 231.89 -2.00 3.52 -2.00 322.09 0.00e+00 4.564980e-02 3.240573e-03 6.539527e-03 -6.000000e+00 1.849305e-02 290.00 -2.00 20.00 -2.00 321.59 0.00e+00 7.302 0.007 302.00 328.00 3 9.1760e-01 2.2260e-02 9.0158e-02 -6.0000e+00 1.0330e+00 1.7274e+00 2.6046e-02 6.7020e-02 -6.0000e+00 1.1123e+00 -2.0960e+00 1.5978e-02 2.7462e-02 -6.0000e+00 6.6323e-01 8.2797e-01 8.5135e-03 3.2720e-02 -6.0000e+00 2.8138e-01 3.7622e-05 -3.4848e-03 2.4584e-04 7.0093e-04 -6.0000e+00 2.0037e-02 -1.4212e-04 -6.4169e-05 12 8 8 10 0 0 97.58 21.45 0.20 -0.00014 -0.02633 61 15 1 5 0 792.220 25.90 20.00 21.45 23.75 40.0 1015.50 77567 188182 110969 185646 -111129 73355 24906 17856 2990 61677 -59145 30328 -5706 42556 113609 97388 133634 187441 127783 190668 69710 242594 310849 75202 61732 17486 12437 32938 98603 -45091 88057 46052 145515 48074 69127 22514 128303 48636 129118 42791 110796 44138 86883 -12472 106537 30364 64528 34868 79868 10437 90785 24318 107262 37038 104151 13283 34077 24944 74128 13587 35765 24143 48987 45368 75148 30270 35921 40115 32313 21633 28975 21504 15949 11016 2707 8791 20474 -2053 -8727 14052 3078 412 -1545 -2627 674 -574 -1093 -2504 -983 4992 -8099 -2863 -15776 -8377 -9269 -2011 -5717 482 335 675 -3091 -741 -9989 -2832 -7232 -4214 -6421 -99 -5413 -907 -2416 -1063 -1266 87 -1234 -1970 -243 718 1008 3423 3105 3798 3548 4045 4208 2820 -1351 2466 2273 1577 1639 -641 770 -250 533 -271 -759 -560 890 -873 -393 -3009 3333 2854 3553 2346 -17984 1731 734 451 73 728 -2242 588 -231 1506 2584 3118 3265 2843 3445 2827 2760 2248 2881 1647 1300 516 367 805 1554 -3457 2374 2250 3237 2511 2563 1252 2735 2172 2992 2235 3286 2380 3221 -1293 3851 2251 3588 2791 4307 1205 5125 2848 5694 4057 5616 1690 3331 2501 4372 1500 3435 2990 5489 6001 7725 4846 5599 6219 5962 4494 5774 4551 3314 2161 510 1548 3226 -412 -2285 3581 1022 160 -655 -1175 307 -275 -543 -1271 -484 2205 -3822 -1240 -7908 -4354 -5366 -1310 -4602 424 317 626 -2753 -569 -7684 -2060 -5842 -3464 -5882 -94 -6275 -1165 -3300 -1524 -1849 124 -1735 -2777 -351 1081 1589 5273 4592 5684 5142 5623 5691 3804 -1913 3784 3830 3069 3572 -1548 1836 -645 1455 -767 -2174 -1609 2456 -2288 -950 -7463 SS 20240813T105354.4Z 8991.454102 60 1 49.00 2 81.00 78.65 162.83 346.47 0.00 1 0.00 1 0 25 5.704e-01 3.684e-02 2.313e-01 7.149e-03 8.212334e-01 4.210882e-03 1.407429e-02 -6.000000e+00 3.507644e-01 231.89 -2.00 3.52 -2.00 321.67 0.00e+00 4.423333e-02 2.277589e-03 1.381465e-02 -6.000000e+00 1.597850e-02 290.00 -2.00 20.00 -2.00 321.13 0.00e+00 6.049 0.004 302.00 328.00 3 2.1616e+00 1.5591e-02 8.4630e-02 -6.0000e+00 8.7988e-01 1.1500e+00 1.8651e-02 4.7859e-02 -6.0000e+00 9.4820e-01 -1.4688e+00 1.3040e-02 3.0754e-02 -6.0000e+00 5.6323e-01 6.0899e-01 6.6365e-03 2.3139e-02 -6.0000e+00 2.3866e-01 4.5902e-05 -3.2852e-03 1.9288e-04 6.9447e-04 -6.0000e+00 1.7014e-02 -5.7051e-04 -3.9505e-05 12 8 8 10 0 0 98.94 21.46 0.16 -0.00057 -0.02526 35 8 1 5 0 1399.830 25.90 20.00 21.46 23.86 39.9 1015.74 79625 63172 86450 48809 -161147 35760 32014 -33383 900000 14471 -47743 90941 -23124 15068 76117 175132 80691 224720 68286 172776 132739 233838 122102 232161 28200 58641 -15651 45719 25944 -13894 45270 59650 46320 112447 50941 74373 65877 53605 38364 73089 46473 63745 50263 23445 24477 70711 65881 49443 58939 24947 58747 78738 73475 44652 35310 29449 23336 22304 32843 22464 7619 22019 38704 31768 40121 23657 22333 23469 17926 11173 16504 10259 6166 3132 1769 -3674 16598 -6699 2889 4071 1009 -1834 -1339 -5291 -1789 -6976 -1295 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