File name: Pandora64s1_NewHavenCT_20240702_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240703T050550.3Z 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_20240702_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: 20240702 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 20240702T100942.9Z 8949.423413 153 1 48.35 2 83.14 65.31 48.47 95.68 0.00 1 0.00 1 0 25 5.214e-01 3.501e-02 2.777e-01 1.359e-02 1.098381e+00 8.452488e-03 1.319585e-02 -6.000000e+00 3.214659e-01 232.95 -2.00 3.52 -2.00 322.19 0.00e+00 1.892935e-02 4.474411e-03 3.585390e-03 -6.000000e+00 1.426616e-02 288.16 -2.00 20.00 -2.00 321.69 0.00e+00 7.643 0.008 302.00 328.00 3 1.0289e+00 3.2352e-02 9.7528e-02 -6.0000e+00 8.0685e-01 1.9777e+00 3.9999e-02 6.1532e-02 -6.0000e+00 8.6797e-01 -2.2021e+00 2.6578e-02 3.2552e-02 -6.0000e+00 5.1660e-01 8.1242e-01 1.3163e-02 1.9708e-02 -6.0000e+00 2.1887e-01 2.0198e-05 -2.8707e-03 3.4238e-04 3.7043e-04 -6.0000e+00 1.5542e-02 -4.2836e-03 -9.3674e-05 12 8 8 10 0 0 2.70 21.80 0.32 -0.00428 -0.02586 31 7 1 5 0 1559.400 26.21 20.00 21.80 23.16 39.6 1021.91 30757 42705 153498 18010 -74196 27763 6003 -90582 119223 -51963 -25768 -9949 -21387 -29215 26894 8991 60588 241704 55263 131155 46123 900000 900000 132075 16144 21423 -49298 -24434 44137 -108799 3734 40531 86743 52185 57353 27172 13200 13676 39101 7403 86965 57457 7565 -29841 7230 37914 72778 4726 86700 -50823 68557 268571 126912 26798 42446 37651 17468 17974 110996 47616 23886 46821 40174 33915 67002 33128 35578 41961 48345 22629 35377 31562 13513 12987 -7234 8046 33207 -10046 -10510 13955 4 -18012 2743 8369 2458 2495 253 5269 4097 10489 -8474 -1616 -11318 -6305 -4905 4056 -4357 932 1099 -2685 -4159 -6119 -8485 -6142 -6331 -3822 -4676 5618 -4496 1454 642 -2168 -520 168 386 -1101 -708 -927 147 2829 798 4180 1624 4721 3112 2013 -2108 3099 1468 -453 484 -1465 -679 167 1311 532 -352 261 1279 -471 -911 -2725 1270 1597 2033 674 -5608 690 164 -5576 1579 -2022 -768 -305 -974 -1753 1202 518 2358 3202 2288 2389 1757 900000 900000 1750 588 692 -3020 -1113 1060 -13565 204 1779 2657 2204 2042 1260 732 827 2040 576 3168 2854 626 -3325 587 2292 3194 434 3982 -8832 4257 3558 5380 3040 4112 3772 2068 1979 4803 3548 2353 4109 4324 4409 6546 4553 5008 5871 7085 4479 6396 5854 2780 2398 -1432 1312 4234 -2059 -2621 3317 1 -7476 1058 3195 1048 1098 110 2308 1772 4021 -3685 -642 -5124 -3071 -2668 2430 -3361 790 997 -2478 -3590 -4733 -6107 -4371 -4781 -2939 -3944 4755 -4621 1647 836 -3123 -757 242 544 -1565 -1039 -1426 233 4324 1180 5608 2155 5865 3840 2478 -2738 4350 2499 -864 1036 -3492 -1743 436 3619 1526 -1022 757 3555 -1298 -2323 -6557 SS 20240702T102025.1Z 8949.430846 156 1 48.17 2 81.30 66.97 46.51 97.55 0.00 1 0.00 1 0 17 3.874e-01 2.811e-02 1.374e-01 4.075e-03 9.174181e-01 2.429967e-03 1.273025e-02 -6.000000e+00 2.387669e-01 232.95 -2.00 3.52 -2.00 321.80 0.00e+00 2.694378e-02 1.373499e-03 9.986127e-03 -6.000000e+00 1.056992e-02 288.16 -2.00 20.00 -2.00 321.30 0.00e+00 6.236 0.004 302.00 328.00 3 9.8860e-01 9.1792e-03 8.5797e-02 -6.0000e+00 5.9945e-01 9.8625e-01 1.1870e-02 5.5072e-02 -6.0000e+00 6.4499e-01 -1.2794e+00 9.7921e-03 3.5507e-02 -6.0000e+00 3.8381e-01 5.2006e-01 4.6213e-03 2.0401e-02 -6.0000e+00 1.6232e-01 1.2300e-04 -2.2046e-03 1.0703e-04 4.9175e-04 -6.0000e+00 1.1540e-02 -4.9115e-03 -5.0966e-05 12 8 8 10 0 0 11.96 21.81 0.15 -0.00491 -0.02148 98 24 1 5 0 491.400 26.21 20.00 21.81 23.68 39.4 1024.22 -51872 101422 -30121 -82873 -241395 -49790 -109540 -72722 -64410 -83489 -135750 -65812 -53332 -54475 11443 19108 -4522 37395 -222 40862 10445 48828 28794 1588 -24966 -17017 -33003 -22719 -17809 -38669 -509 18252 42531 53949 34531 14314 23975 27303 40458 35302 43859 36850 45651 30579 55767 41223 71132 44959 43154 25069 46246 47996 55146 38167 41999 29062 32714 21911 27607 22362 27110 23683 31047 32798 34026 18698 21179 22819 17124 16003 13596 11999 8901 6158 5392 -529 7283 -1808 -39 2875 2932 -3161 1096 -1407 -1071 -1485 -1014 -1957 193 -354 -2443 -3612 -6683 -6470 -4978 -3765 -3791 -463 -208 -1036 -1192 -2345 -5276 -2739 -2484 -4404 -3382 -1602 -2346 -810 -356 -590 -1025 10 -556 -629 596 1382 1498 2169 1764 1967 2186 2335 2866 2699 -342 1446 1947 1034 984 78 -162 -153 218 -51 -855 -89 51 -512 -896 -1771 -787 403 -455 -1706 -18944 -613 -2220 -954 -742 -1128 -3183 -968 -975 -1385 196 364 -122 728 -6 779 253 737 503 34 -655 -399 -892 -560 -460 -1521 -18 631 1318 1501 1070 540 876 1074 1576 1599 1935 1830 2195 1602 2593 2326 3137 2517 2635 2001 3341 3728 4263 3695 3929 3076 3273 2343 2703 2343 2918 3011 4239 5000 5359 3431 3948 4410 3601 3810 3480 3127 2258 1466 1157 -120 1536 -421 -11 933 1111 -1453 521 -722 -582 -847 -551 -1083 112 -196 -1299 -1885 -3654 -3920 -3246 -2897 -3432 -467 -223 -1099 -1174 -2077 -4446 -2307 -2221 -4203 -3467 -1779 -2779 -1085 -531 -934 -1648 16 -849 -951 924 2227 2527 3641 2855 3014 3233 3319 3946 3648 -478 2222 3245 1979 2097 168 -379 -381 577 -131 -2240 -233 138 -1301 -2132 -3981 SS 20240702T103355.6Z 8949.440227 161 1 48.21 2 78.95 69.03 44.04 100.04 0.00 1 0.00 1 0 25 5.871e-01 1.216e-02 6.855e-02 1.602e-03 7.645406e-01 9.243512e-04 8.807185e-03 -6.000000e+00 3.618839e-01 232.95 -2.00 3.52 -2.00 321.14 0.00e+00 4.301059e-03 4.585764e-04 2.740200e-03 -6.000000e+00 1.601793e-02 288.16 -2.00 20.00 -2.00 320.55 0.00e+00 5.028 0.002 302.00 328.00 3 9.6538e-01 3.1683e-03 6.6177e-02 -6.0000e+00 9.0855e-01 1.1072e-01 4.3733e-03 4.3690e-02 -6.0000e+00 9.7749e-01 -1.5369e-01 4.2955e-03 2.3805e-02 -6.0000e+00 5.8166e-01 5.5738e-02 2.0318e-03 8.0645e-03 -6.0000e+00 2.4607e-01 5.7427e-04 -7.3989e-04 4.4479e-05 1.2103e-04 -6.0000e+00 1.7486e-02 -5.9491e-03 -1.6856e-05 12 8 8 10 0 0 43.49 21.82 0.21 -0.00595 -0.01151 238 57 1 5 0 202.520 26.21 20.00 21.82 24.23 39.5 1026.77 -222137 -162585 -205794 -166796 -321423 -166264 -191890 -147566 -165425 -128269 -166502 -93888 -128161 -86335 -77203 -50237 -67695 -759 -54086 -23035 -34532 -9471 -29910 -28171 -24993 -17084 -30553 -22583 -29812 -31961 -14755 -6732 -1310 -7740 -14770 -8210 -2450 -676 6438 3018 8161 4468 8362 799 5656 7056 7288 5414 7396 3436 9325 12698 11161 6957 6991 3504 4368 2001 5214 2614 4912 3483 5488 4084 5421 772 3187 780 3224 2460 1891 1056 675 433 -323 -2107 -181 -2501 -487 -123 -892 -1542 -1700 -2312 -861 -993 214 -28 867 565 -161 79 -1324 -736 -144 4 -626 778 462 -555 -655 -1546 -2217 33 196 -1798 -923 -928 -481 135 555 176 147 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