File name: Pandora64s1_NewHavenCT_20231206_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231207T044908.9Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231206_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: 20231206 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 20231206T130701.7Z 8740.546548 291 1 48.09 2 80.99 130.92 43.04 209.73 0.00 1 0.00 1 0 17 7.420e-01 3.948e-02 2.466e-01 7.830e-03 9.354404e-01 4.517396e-03 1.150595e-02 -6.000000e+00 4.402422e-01 222.86 -2.00 3.52 -2.00 321.81 0.00e+00 5.365726e-02 2.220963e-03 7.566654e-03 -6.000000e+00 1.939175e-02 277.90 -2.00 20.00 -2.00 321.38 0.00e+00 6.055 0.004 302.00 328.00 3 2.0162e+00 1.5446e-02 1.1879e-01 -6.0000e+00 1.0831e+00 1.5378e+00 1.7930e-02 1.4989e-01 -6.0000e+00 1.1760e+00 -1.9397e+00 1.2916e-02 2.5330e-02 -6.0000e+00 7.0114e-01 8.1235e-01 6.5917e-03 5.4329e-02 -6.0000e+00 2.9972e-01 4.2033e-05 -4.1717e-03 1.9836e-04 6.2067e-04 -6.0000e+00 2.2034e-02 -2.6193e-03 -3.5681e-05 12 8 8 10 0 0 98.38 21.47 0.13 -0.00262 -0.03397 47 11 1 5 0 1022.980 26.00 19.98 21.47 6.78 36.3 936.53 123442 147032 141292 223727 -113769 151415 75321 -20196 143936 -50518 -21209 25177 25298 87721 106785 120786 132238 205791 112794 169516 135644 232803 289169 219761 64726 10505 29008 7823 81339 -35922 105561 137755 180670 97873 112890 53115 104405 45756 109306 63244 67852 37870 98286 19179 88464 57773 111823 52312 75183 31676 97181 71223 114754 49137 60661 38823 32308 21615 25310 26245 17559 32895 36206 40815 50903 30434 30201 35401 19921 21885 16712 12060 4858 4758 -3150 -4484 15937 -7994 -3114 6547 626 -10060 -2889 -1227 -2935 -4854 -1803 944 -221 2401 -5008 -4806 -13548 -9476 -9788 -3042 -5689 505 457 985 630 1158 -5210 -3024 -4249 -4965 -4187 -89 -3427 -1622 -2741 -2138 -977 -887 -2145 -1951 -460 736 1258 3612 2699 3465 4403 5251 4946 2121 -217 1554 2576 1182 1735 1361 -19 42 668 -326 -853 -587 820 -680 -1120 -3831 3239 3367 3438 2163 -19656 1772 1380 -684 1099 -1567 -497 474 688 2054 2826 3442 3769 3037 3929 3365 3314 1904 2208 1678 1384 342 753 263 1532 -2674 2794 3225 3350 3835 3332 2484 3082 2314 3227 3058 3177 2313 3752 1601 4187 3749 4837 4168 5058 3506 6074 6151 7067 5556 5818 4335 3607 2506 2729 2893 2312 4300 5040 6232 7429 5426 5533 6343 4544 5395 4473 3331 1339 1180 -748 -981 2848 -2014 -913 2021 240 -4856 -1389 -602 -1537 -2689 -1000 515 -120 1215 -2549 -2346 -7274 -5413 -6343 -2237 -5125 499 487 1030 610 981 -4244 -2417 -3640 -4468 -4051 -91 -3957 -2127 -4094 -3376 -1545 -1379 -3276 -2943 -708 1175 2090 5869 4227 5078 6153 7014 6444 2798 -294 2313 4469 2270 3704 3001 -44 106 1782 -902 -2270 -1633 2186 -1715 -2618 -8933 SS 20231206T131909.9Z 8740.554976 297 1 9.80 2 79.30 133.18 44.26 213.67 0.00 1 0.00 1 0 25 4.882e-01 3.518e-02 2.436e-01 8.930e-03 8.329816e-01 5.015643e-03 1.089631e-02 -6.000000e+00 2.915948e-01 222.86 -2.00 3.52 -2.00 321.28 0.00e+00 2.746132e-02 2.290408e-03 4.903881e-03 -6.000000e+00 1.314484e-02 277.90 -2.00 20.00 -2.00 320.83 0.00e+00 5.184 0.003 302.00 328.00 3 2.2544e+00 1.6139e-02 6.7547e-02 -6.0000e+00 7.1713e-01 8.4883e-01 2.0001e-02 4.4586e-02 -6.0000e+00 7.7904e-01 -1.1442e+00 1.7176e-02 3.0488e-02 -6.0000e+00 4.6292e-01 4.9688e-01 8.4264e-03 2.4840e-02 -6.0000e+00 1.9750e-01 1.0459e-04 -2.5543e-03 2.3480e-04 4.1337e-04 -6.0000e+00 1.4566e-02 -2.0020e-03 -3.1722e-05 12 9 9 12 1 1 -111.46 21.47 0.22 -0.00200 -0.02120 7 9 1 5 0 1224.540 26.00 19.99 21.47 6.84 36.4 936.25 -41281 165268 -27553 103540 -208076 900000 -104124 -73263 -53705 165501 -119824 900000 -35074 71048 30159 179135 67278 72952 43261 70840 79073 83300 37491 72609 -14815 83279 12207 -8024 37933 -34919 33388 117800 73761 74114 75046 25463 50922 44781 52203 28118 76447 27870 63126 14535 70088 32133 77589 37944 57767 16068 63738 43016 58302 26090 53993 17196 16317 6903 20883 10999 30795 15682 24921 14840 24759 17037 17320 9464 12655 8314 10352 6411 3670 -1940 649 -2515 929 -7657 14 1394 -1328 -7263 -1285 -5698 -3247 -3303 -2380 -2165 -1573 -1137 -1787 -4644 -7119 -6780 -5720 -932 -3938 2129 -291 757 -1688 -572 -4394 -3356 -1742 -2966 -4520 -855 -2210 108 -504 90 -1070 -712 -383 -786 -735 1632 1482 3010 2353 3271 2625 2993 3234 2598 -689 1389 1674 1902 1606 765 -166 -222 -242 -852 -757 -164 663 -1258 -1039 -2463 -1188 1438 -775 901 -23061 900000 -3695 -1766 -1007 1440 -4252 900000 -939 979 747 1559 1532 1710 1390 1707 1641 1631 1004 1369 -575 1268 343 -279 990 -2127 1319 2563 2617 2630 2412 1330 2182 2249 2726 2052 3634 2258 3804 1365 4223 2969 4779 3709 4912 2078 6102 5108 6307 4087 6378 2897 2708 1206 3077 1819 4499 3032 5051 3755 5895 4343 4533 2795 3760 2875 3670 2366 1314 -672 210 -768 273 -2493 5 595 -676 -4168 -745 -3624 -2137 -2271 -1679 -1538 -1095 -749 -1109 -2857 -4516 -4710 -4608 -848 -4061 2366 -351 884 -1868 -556 -4104 -3177 -1724 -3100 -5184 -1034 -2895 158 -776 144 -1743 -1125 -581 -1179 -1137 2574 2449 4914 3717 5135 4010 4378 4586 3624 -992 2174 2863 3474 3245 1586 -368 -523 -579 -2104 -1876 -406 1582 -2998 -2302 -5182 SS 20231206T132340.4Z 8740.558106 300 1 16.97 2 78.69 134.04 44.75 215.09 0.00 1 0.00 1 0 25 5.335e-01 1.743e-02 1.614e-01 3.209e-03 8.144351e-01 1.805690e-03 9.460060e-03 -6.000000e+00 3.188127e-01 222.86 -2.00 3.52 -2.00 321.12 0.00e+00 9.675711e-03 8.432864e-04 2.246640e-03 -6.000000e+00 1.432263e-02 277.90 -2.00 20.00 -2.00 320.65 0.00e+00 4.926 0.002 302.00 328.00 3 1.4404e+00 5.8297e-03 6.5124e-02 -6.0000e+00 7.8363e-01 2.6575e-01 8.0603e-03 4.3585e-02 -6.0000e+00 8.5130e-01 -3.3382e-01 8.4515e-03 2.7815e-02 -6.0000e+00 5.0591e-01 1.3536e-01 4.0449e-03 1.4238e-02 -6.0000e+00 2.1598e-01 3.6029e-04 -1.2755e-03 8.6234e-05 1.8259e-04 -6.0000e+00 1.6163e-02 -2.8838e-03 -7.4237e-05 12 9 9 12 1 1 -87.08 21.47 0.14 -0.00288 -0.01247 44 31 1 5 0 377.100 26.00 20.01 21.47 6.92 36.4 937.13 -236134 -45429 -197889 900000 -327012 900000 -205704 -146052 -140723 -53958 -197828 -64933 -132234 -68859 -47830 -19011 -19864 8571 -40637 63953 756 35773 44331 1306 -23098 -28940 -16574 -21601 -5365 -41738 4504 5765 16411 31 30837 -12074 19163 -4925 28463 2331 24568 -2466 19086 322 13814 3176 28895 3934 18289 1127 18838 9134 20206 5545 14194 1319 10848 152 7057 194 9537 2060 9765 7271 8893 2765 6904 2034 4979 3792 2428 2177 1952 1342 -1251 -1220 -371 -2443 -1647 11 -1759 -1632 -1853 -2104 -2227 -992 -654 113 420 1086 -1419 146 -3072 -724 -1481 -355 -1489 1170 162 554 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