File name: Pandora64s1_NewHavenCT_20210618_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20260321T232209.9Z 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 v1.8.88 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20210618_L1_smca1c4d20190911p1-8.txt.bz2 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: 20210618 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 20210618T095253.6Z 7839.411731 82 1 46.75 2 85.18 62.83 131.49 332.80 0.00 1 0.00 1 0 33 5.024e-01 9.594e-02 2.310e-01 4.228e-02 9.878010e-01 2.510880e-02 1.135857e-02 -6.000000e+00 3.090469e-01 232.94 -2.00 3.52 -2.00 320.09 0.00e+00 -1.659537e-02 4.547702e-03 4.816401e-03 -6.000000e+00 1.362221e-02 286.76 -2.00 20.00 -2.00 319.01 0.00e+00 10.066 0.019 302.00 328.00 3 -7.7045e-02 6.9625e-02 1.2034e-01 -6.0000e+00 7.7621e-01 2.7786e+00 8.0178e-02 7.8542e-02 -6.0000e+00 8.3597e-01 -2.1267e+00 4.3611e-02 2.4769e-02 -6.0000e+00 4.9700e-01 5.5343e-01 2.0876e-02 1.8691e-02 -6.0000e+00 2.0941e-01 5.4423e-06 1.2757e-03 1.1320e-03 2.4287e-04 -6.0000e+00 1.4963e-02 5.0100e-03 -1.8719e-04 12 8 8 10 0 0 -36.79 21.31 1.12 0.00501 0.01460 12 3 1 5 0 3895.400 26.00 20.00 21.31 20.51 32.4 1013.10 -19495 60003 11055 77700 -9659 13367 57866 -32263 101206 34269 -54902 9815 59751 -20219 74951 10497 62822 103044 22500 57509 127528 211976 185684 277490 66328 74618 43060 -14877 -16681 -21398 13861 -4826 62256 -10795 -9217 63271 58950 -4276 36173 2854 108290 17823 35861 -4192 -10595 -13663 85913 1509 -14011 -69940 63223 -6712 27440 -5200 43832 8618 32800 -2246 113502 9028 -1982 -24737 1819 70737 92818 30669 2545 77270 13236 26548 31163 5071 -12272 -16218 -35228 -5419 -20938 1691 -28318 16325 -15213 2190 -9649 30694 -1293 1269 10072 23367 -2557 13580 -25714 30125 -27088 -3796 8305 46071 -2779 8359 2660 1189 -8267 3925 -19446 1586 -9818 -639 -6083 53128 5916 20643 4800 10350 -3118 5876 -5949 -7044 5498 -736 -3247 -3757 3529 4363 5386 -10996 11073 1146 -7236 8560 5666 -2588 -3684 -8782 -141 -4130 3209 -730 3927 2002 4552 -2484 98 -1570 -6681 9236 2279 7048 -1832 2021 6044 -8397 7789 5181 -19099 2077 8376 -6836 10507 2856 10015 10763 4947 8378 9013 8740 7656 11441 9115 9669 6273 -3312 -3530 -5058 2553 -1141 8434 -2611 -2001 7267 7812 -1164 8203 926 13394 4948 8343 -1233 -3087 -3868 9361 387 -4333 -37871 10613 -2251 7435 -1915 10843 3071 8887 -794 11365 2393 -590 -9907 611 12707 13121 7948 907 13881 5067 9617 11013 2255 -5927 -7212 -16392 -1692 -7584 528 -13927 5962 -8692 1174 -6138 13649 -827 807 5902 11699 -1581 6599 -17342 11356 -18746 -2337 5259 23065 -2414 7214 2478 1069 -7408 2959 -17524 1210 -8789 -544 -5894 31292 5951 20426 6148 13086 -4542 7639 -8437 -10049 7148 -1057 -4945 -5638 4675 5444 6469 -14991 12750 1333 -9467 10987 8736 -4922 -7879 -21387 -341 -11261 8696 -2113 11010 5744 12286 -6717 242 -3745 SS 20210618T100459.0Z 7839.420128 85 1 48.07 2 83.15 64.72 132.46 336.46 0.00 1 0.00 1 0 25 4.292e-01 2.536e-02 2.458e-01 8.361e-03 9.867372e-01 5.097668e-03 1.113980e-02 -6.000000e+00 2.642198e-01 232.94 -2.00 3.52 -2.00 322.17 0.00e+00 5.343659e-03 2.966479e-03 2.631626e-03 -6.000000e+00 1.163727e-02 286.76 -2.00 20.00 -2.00 321.69 0.00e+00 7.652 0.008 302.00 328.00 3 6.7902e-01 2.0195e-02 9.4550e-02 -6.0000e+00 6.6365e-01 1.2545e+00 2.6156e-02 5.5556e-02 -6.0000e+00 7.1457e-01 -1.6447e+00 2.0263e-02 2.9277e-02 -6.0000e+00 4.2483e-01 6.5286e-01 9.4801e-03 1.0453e-02 -6.0000e+00 1.7914e-01 4.3983e-05 -2.7531e-03 2.2576e-04 1.8730e-04 -6.0000e+00 1.2782e-02 2.1583e-03 -1.0433e-04 12 8 8 10 0 0 22.89 21.32 0.29 0.00216 -0.01853 62 15 1 5 0 775.150 26.00 20.00 21.32 20.94 32.3 1015.38 -73100 -60683 -41583 -54405 -88552 -80196 -78119 -140958 16256 -90330 -95867 -95757 68488 -96536 58880 -52528 126596 -21777 93390 -8086 35390 -9007 161163 -16285 136723 -48140 9152 -84471 55808 -62975 26748 -18143 51190 -17804 41403 -14877 98545 16131 68385 24932 69298 18386 51434 24298 11538 17242 49552 10416 10198 -20340 59912 21885 32056 46410 50126 56989 23889 28570 46839 32795 10259 9251 23628 39288 30531 37931 11956 30344 17346 29225 13670 23946 13360 11138 144 12006 -1809 5782 -4646 9731 -6232 9473 -1425 1572 -1037 2676 2603 4573 27 2921 -4844 -3413 -9976 -5215 -5513 -1152 -3657 -706 -1155 -2060 -3052 -4130 -8460 -2432 -2593 -2198 -2436 985 -1697 -1160 -379 -1066 19 -17 -867 -1581 240 -1165 2158 1471 2801 1947 3972 549 4165 370 -359 385 1874 -368 833 -782 83 -824 1331 -96 205 259 1057 -594 -537 -3003 -2330 -1754 -955 -1210 -2363 -1843 -1737 -5955 159 -2343 -2700 -3194 614 -5080 864 -2414 1135 -823 1218 -258 750 -254 1314 -507 1115 -1998 224 -4508 819 -3174 741 -820 1419 -884 1148 -728 1687 723 2119 1341 2542 1049 2348 1426 693 1082 2303 687 718 -2126 3468 1849 2637 3543 3789 4097 2372 2583 3666 2625 1072 1090 2749 4397 3869 4470 1923 4340 3201 5372 3090 4898 2862 2221 29 1922 -334 1084 -1157 2531 -2041 3044 -554 628 -453 1176 1183 2047 12 1238 -2093 -1426 -4588 -2569 -3228 -768 -2932 -631 -1104 -1945 -2702 -3294 -6546 -1827 -2081 -1841 -2225 961 -1804 -1419 -519 -1565 28 -25 -1253 -2288 354 -1821 3414 2340 4207 2799 5430 750 5375 488 -482 581 3270 -698 1747 -1808 205 -2215 3749 -264 566 721 3037 -1618 -1357 -7280 SS 20210618T101553.9Z 7839.427707 88 1 48.41 2 81.28 66.40 133.24 339.85 0.00 1 0.00 1 0 25 7.360e-01 1.533e-02 9.720e-02 2.876e-03 8.429771e-01 1.698787e-03 9.698127e-03 -6.000000e+00 4.531869e-01 232.94 -2.00 3.52 -2.00 321.69 0.00e+00 4.748341e-03 9.685771e-04 4.658315e-03 -6.000000e+00 1.995534e-02 286.76 -2.00 20.00 -2.00 321.17 0.00e+00 6.224 0.004 302.00 328.00 3 7.0337e-01 6.4782e-03 8.0450e-02 -6.0000e+00 1.1383e+00 3.1059e-01 9.2629e-03 5.3826e-02 -6.0000e+00 1.2255e+00 -4.6575e-01 8.9720e-03 2.8890e-02 -6.0000e+00 7.2862e-01 1.9123e-01 4.0729e-03 8.9360e-03 -6.0000e+00 3.0732e-01 2.2576e-04 -1.1924e-03 8.1183e-05 1.6900e-04 -6.0000e+00 2.1921e-02 1.3452e-03 -7.5515e-05 12 9 8 11 8 0 -11.79 21.34 0.18 0.00135 -0.00762 161 39 1 5 0 300.590 26.00 20.00 21.34 21.54 32.1 1018.30 -254946 -250945 -208904 -254599 -260395 -233090 -239408 -224609 -210373 -186242 -221974 -187091 -167222 -143812 -86500 -88947 -80355 -45450 -30048 -27731 -64819 -26595 -40496 -43745 -52939 -41090 -66211 -38299 -43280 -34682 -24985 -5941 -8271 -1563 -5060 -24653 -6929 8023 6100 9160 11113 6508 19265 16719 5443 15082 15436 11701 449 4615 13747 15515 14096 13578 16810 14096 11835 10461 11165 7491 8930 6702 10282 13081 12460 7366 6880 4211 5927 5907 6144 3652 4179 2856 986 -1478 1523 -3509 -156 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