File name: Pandora64s1_NewHavenCT_20240208_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240209T051104.6Z 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_20240208_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: 20240208 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 20240208T123816.1Z 8804.526575 64 1 48.56 2 83.48 116.64 80.80 137.17 0.00 1 0.00 1 0 17 6.105e-01 3.712e-02 1.923e-01 9.204e-03 1.064172e+00 5.486839e-03 1.253199e-02 -6.000000e+00 3.642713e-01 224.61 -2.00 3.52 -2.00 322.21 0.00e+00 4.794470e-02 2.579414e-03 1.229828e-02 -6.000000e+00 1.576039e-02 274.93 -2.00 20.00 -2.00 321.82 0.00e+00 7.996 0.009 302.00 328.00 3 1.9413e-01 1.8986e-02 1.4897e-01 -6.0000e+00 9.0053e-01 2.0575e+00 2.1498e-02 1.7179e-01 -6.0000e+00 9.7755e-01 -2.5304e+00 1.3732e-02 2.7832e-02 -6.0000e+00 5.8101e-01 1.0165e+00 7.5998e-03 4.7383e-02 -6.0000e+00 2.4650e-01 3.5897e-05 -4.1905e-03 2.2983e-04 4.9836e-04 -6.0000e+00 1.8133e-02 2.4870e-03 -1.0662e-04 12 8 8 10 0 0 59.17 21.50 0.31 0.00249 -0.02900 59 14 1 5 0 822.910 26.00 19.99 21.50 6.56 36.6 943.74 158734 152499 208862 141844 -78165 71797 123149 -21577 122518 20222 -32382 -38713 123854 35710 134260 89464 148345 153092 148882 100092 100430 128271 197880 52594 11802 -13976 9057 -26005 29872 -57683 80708 67302 117616 88808 73829 17189 61457 31348 84765 45057 75344 38754 66498 11702 36728 47814 68136 61593 36299 3466 78398 158029 102642 61775 61087 50056 11802 26659 25542 35324 18370 42573 48055 47286 53488 39571 35071 52824 31749 32151 21286 22707 12885 11238 815 5762 13124 -10204 -3140 13000 3674 -9201 -21 -2169 -1064 1440 1811 1688 2023 735 -6144 -3048 -19049 -9642 -9183 -3223 -3303 585 1555 264 380 -1533 -7404 -1771 -4452 -8102 -4181 350 -4744 -3011 -1313 -2720 -1962 -1814 -1737 -2528 -874 -27 3147 3039 3071 4173 4710 3757 5049 3100 -692 1494 2137 890 1457 -365 81 -65 624 -253 -196 138 868 -513 -935 -3930 5569 5972 4430 4745 -16193 2695 2009 -1127 1319 462 -1189 -1927 2001 1835 3396 4233 4236 4372 4251 4246 3605 3108 1953 1746 433 -582 309 -1167 965 -5271 2752 2855 3694 3587 2982 1024 2537 1772 2891 2345 2908 2191 2984 850 2373 2918 3608 3759 2754 390 4995 4822 5619 4687 4879 4178 1223 2197 2223 2821 1709 3935 4470 5092 5717 4875 4693 6163 5025 5561 4203 4317 2481 1953 138 841 1810 -2006 -712 3097 1127 -3351 -8 -819 -416 568 731 686 805 307 -2577 -1206 -8348 -4363 -5020 -2035 -2508 500 1423 241 319 -1145 -5283 -1200 -3276 -6466 -3499 313 -5190 -3507 -1716 -3880 -2850 -2616 -2455 -3593 -1274 -41 4827 4635 4436 5598 6061 4723 6653 3809 -898 2170 3698 1813 3097 -862 206 -177 1793 -752 -583 409 2475 -1374 -2310 -9231 SS 20240208T124835.9Z 8804.533749 67 1 48.29 2 81.76 118.45 79.53 139.06 0.00 1 0.00 1 0 17 5.383e-01 2.329e-02 1.080e-01 3.198e-03 9.401876e-01 1.853198e-03 1.068380e-02 -6.000000e+00 3.213185e-01 224.61 -2.00 3.52 -2.00 321.83 0.00e+00 1.978016e-02 9.680302e-04 1.343227e-03 -6.000000e+00 1.389662e-02 274.93 -2.00 20.00 -2.00 321.43 0.00e+00 6.552 0.005 302.00 328.00 3 4.0230e-01 6.4886e-03 8.5718e-02 -6.0000e+00 7.9435e-01 7.6890e-01 9.1029e-03 6.4496e-02 -6.0000e+00 8.6217e-01 -1.0195e+00 9.3481e-03 2.9630e-02 -6.0000e+00 5.1244e-01 4.2359e-01 4.3430e-03 2.3170e-02 -6.0000e+00 2.1751e-01 1.8098e-04 -1.8277e-03 8.4179e-05 3.0924e-04 -6.0000e+00 1.5991e-02 5.3567e-04 -7.7099e-05 12 8 8 10 0 0 63.32 21.50 0.23 0.00054 -0.01320 159 38 1 5 0 303.680 26.00 20.01 21.50 7.37 36.5 947.56 -161699 -120902 -146028 -144837 -296169 -151052 -162461 -151756 -125338 -162513 -170170 -109113 -116625 -55130 -26051 -18658 -6468 28779 -9308 -12412 -7754 -23156 234 -49206 -27308 -29651 -58493 -42140 -14742 -58327 10223 32878 33953 33606 22837 468 21010 9757 25123 28166 38809 29426 42711 15253 42282 27621 47506 37752 36273 16543 44426 42112 45626 30162 37390 22594 18690 19394 25267 15402 17911 19858 26890 26594 23267 16695 18393 16979 15429 13545 11123 9458 7684 5895 2048 22 3160 -2271 -370 2918 1209 -1465 -861 -1501 -1153 -1045 -358 346 586 721 -1599 -2340 -6180 -4647 -3306 -2093 -2617 -115 283 -588 -1060 -1939 -4297 -937 -1234 -3443 -2524 -1649 -1876 -689 -214 -797 -716 -728 -855 -1058 341 489 1595 1675 1544 1398 2263 2137 2726 1602 -906 690 1732 835 1104 -330 -114 -185 492 -217 -487 130 437 -330 -605 -2311 -2475 -1508 -2194 -2123 -15783 -1931 -2229 -1845 -1172 -2230 -2706 -1225 -2000 -705 -325 -262 -91 314 -154 -213 -121 -397 3 -1059 -460 -509 -1331 -828 -244 -1855 214 656 773 775 548 14 570 338 862 1054 1404 1239 1665 804 1767 1404 2103 2001 2115 1182 2720 2913 3298 2719 3190 2254 1918 1902 2263 1541 1884 2347 3445 3897 3694 2858 3264 3258 3407 3129 2766 2396 1867 1452 469 5 669 -565 -100 928 458 -652 -411 -761 -619 -585 -206 199 331 386 -826 -1190 -3359 -2795 -2153 -1608 -2374 -117 303 -620 -1036 -1693 -3557 -771 -1082 -3228 -2547 -1823 -2212 -925 -320 -1267 -1150 -1148 -1312 -1613 532 794 2668 2785 2450 2105 3274 2983 3697 2158 -1268 1074 2920 1619 2376 -728 -269 -467 1315 -565 -1276 341 1175 -832 -1423 -5174 SS 20240208T130510.0Z 8804.545254 72 1 48.37 2 79.06 121.45 77.60 142.17 0.00 1 0.00 1 0 17 5.789e-01 1.028e-02 4.680e-02 1.146e-03 7.712136e-01 6.395843e-04 8.715983e-03 -6.000000e+00 3.455173e-01 224.61 -2.00 3.52 -2.00 321.07 0.00e+00 4.125428e-03 2.882476e-04 1.785776e-03 -6.000000e+00 1.494287e-02 274.93 -2.00 20.00 -2.00 320.63 0.00e+00 5.081 0.002 302.00 328.00 3 3.9705e-01 2.0462e-03 6.5074e-02 -6.0000e+00 8.5418e-01 1.0987e-01 2.8450e-03 4.1861e-02 -6.0000e+00 9.2709e-01 -1.2020e-01 3.0814e-03 2.4571e-02 -6.0000e+00 5.5102e-01 4.1079e-02 1.4827e-03 9.9364e-03 -6.0000e+00 2.3389e-01 9.8423e-04 -7.7948e-04 3.1988e-05 1.3119e-04 -6.0000e+00 1.7195e-02 2.5370e-04 -8.0193e-05 12 8 8 10 0 0 24.99 21.50 0.17 0.00025 -0.00560 403 97 1 5 0 120.000 26.00 20.01 21.50 8.14 36.6 950.58 -217501 -165409 -196108 -182585 -277036 -193344 -193705 -173552 -151012 -137199 -134482 -127447 -99483 -94659 -64735 -57670 -47084 -46996 -36103 -45175 -44821 -40562 -26537 -42017 -31017 -35541 -30027 -38558 -21584 -37119 -8243 -16491 -1970 -14276 -8976 -13717 -3048 -6511 5495 -1517 4629 178 6188 -1359 5005 2167 5588 3919 3900 2452 6898 4496 6958 6297 4855 3413 4194 2448 2838 1977 2876 4239 4141 5283 2798 793 1449 317 1940 3159 1369 1636 -90 -78 -712 -1921 -1803 -2242 -999 107 -848 -514 -2274 -2149 -1143 -545 192 670 1256 908 -514 -125 -1877 -905 11 28 -434 1189 641 -330 -591 -1931 -2308 249 525 -1369 -583 -759 -228 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