File name: Pandora64s1_NewHavenCT_20250326_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250327T050344.0Z 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 v1.8.75 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250326_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: 20250326 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 20250326T113603.5Z 9216.483374 90 1 21.80 2 81.12 94.62 70.56 135.26 0.00 1 0.00 1 0 17 4.060e-01 2.551e-02 2.530e-01 1.049e-02 1.009378e+00 6.203682e-03 1.137092e-02 -6.000000e+00 2.444497e-01 226.97 -2.00 3.52 -2.00 321.95 0.00e+00 6.116613e-03 3.262204e-03 4.320080e-03 -6.000000e+00 1.061031e-02 277.95 -2.00 20.00 -2.00 321.52 0.00e+00 6.134 0.004 302.00 328.00 3 2.0321e+00 2.2337e-02 8.4119e-02 -6.0000e+00 6.0698e-01 1.0825e+00 2.9162e-02 5.8478e-02 -6.0000e+00 6.5741e-01 -1.4647e+00 2.5943e-02 3.2372e-02 -6.0000e+00 3.9072e-01 5.9411e-01 1.2377e-02 1.1420e-02 -6.0000e+00 1.6545e-01 4.6710e-05 -1.8528e-03 2.7404e-04 2.2373e-04 -6.0000e+00 1.2067e-02 1.1270e-03 -9.5905e-05 12 9 9 12 1 1 94.30 21.55 0.17 0.00113 -0.01280 15 8 1 5 0 1362.150 26.00 20.00 21.55 9.58 38.4 963.83 -29226 -112911 -44302 -76946 72803 -96911 -143098 -156021 -53663 -108440 -111245 -115643 -54930 -85547 -60513 -45051 46707 8268 -8284 -1210 -76974 77255 -1296 55611 11693 10480 -88852 -9450 -48085 -94886 6999 -20923 -15676 66060 918 25579 1650 2252 4752 87335 24561 73187 26387 -10022 -11790 30500 38535 37994 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941 -3230 -2416 -4157 -4808 -3008 -1517 -4737 -1615 894 -3413 -724 -718 -1712 -781 1000 -1588 -2033 -338 1041 2172 3994 1665 3471 4143 4680 3236 1981 -1187 2436 2359 1013 378 -1505 -304 -566 1407 2187 -2038 2836 686 -1383 -2559 -5751 SS 20250326T114802.3Z 9216.491693 95 1 48.36 2 78.88 96.63 69.02 137.75 0.00 1 0.00 1 0 17 5.190e-01 2.339e-02 1.331e-01 3.290e-03 8.600807e-01 1.887338e-03 9.997794e-03 -6.000000e+00 3.124657e-01 226.97 -2.00 3.52 -2.00 321.51 0.00e+00 1.859583e-02 9.480723e-04 1.874243e-03 -6.000000e+00 1.356565e-02 277.96 -2.00 20.00 -2.00 321.05 0.00e+00 5.005 0.002 302.00 328.00 3 2.0557e+00 6.4623e-03 6.8875e-02 -6.0000e+00 7.7586e-01 5.0343e-01 8.7829e-03 5.0004e-02 -6.0000e+00 8.4038e-01 -7.0682e-01 8.7558e-03 3.0081e-02 -6.0000e+00 4.9946e-01 2.9949e-01 4.1134e-03 2.1648e-02 -6.0000e+00 2.1145e-01 1.6138e-04 -2.0715e-03 8.8511e-05 2.9746e-04 -6.0000e+00 1.5426e-02 1.3047e-03 -1.4318e-04 12 9 8 11 8 0 99.78 21.55 0.11 0.00130 -0.01426 103 25 1 5 0 469.440 26.00 20.01 21.55 10.57 38.8 969.12 -197863 -95844 -134591 -97236 -311160 -59502 -187939 -93595 -169099 -81263 -187266 -62194 -129997 -60938 -56421 10709 -42473 54388 -27959 34758 -36569 51458 32102 51059 -30743 -2322 -41981 -25191 -29291 -38908 31867 16802 26835 16983 30629 464 39613 14070 45877 19182 38209 21453 42800 13060 34072 24794 49563 21230 37171 7856 37364 17081 40547 17255 29576 9468 20522 7309 21126 6647 16220 9288 20178 11691 21063 9230 14217 8067 8879 6751 6998 4538 4319 1199 -511 -1765 3461 -2786 -342 1019 213 -716 -879 -3233 -2243 -1490 -873 -381 262 615 -2062 -1252 -5554 -3060 -3067 -1977 -2611 528 81 -105 -752 -1301 -4324 -441 -1357 -1901 -2205 -544 -1872 -190 -190 -260 -888 -210 -893 -469 413 639 1564 1648 816 1236 2055 2018 1511 2088 -718 995 1205 883 1028 -8 -187 -218 440 -383 -723 233 451 -649 -230 -2095 -4199 -828 -1793 -816 -17301 -318 -3293 -701 -2545 -565 -3743 -499 -2662 -857 -988 126 -891 523 -593 437 -839 509 386 505 -630 -39 -974 -503 -672 -1210 629 460 768 545 809 17 1085 573 1585 980 1744 1233 2112 832 1976 1540 2739 1561 2512 785 3142 1941 3948 2269 3510 1393 2690 1060 2604 964 2308 1510 3396 2423 4131 2041 3125 2000 2470 2151 2344 1567 1417 373 -145 -468 876 -824 -118 392 96 -371 -491 -1952 -1428 -985 -595 -260 175 388 -1258 -734 -3454 -2057 -2280 -1718 -2661 562 92 -115 -768 -1258 -4017 -408 -1342 -1974 -2346 -624 -2465 -266 -294 -421 -1454 -332 -1373 -710 640 1030 2608 2743 1313 1883 3006 2994 2194 2945 -1047 1510 2113 1664 2135 -16 -426 -507 1081 -973 -1858 596 1119 -1594 -525 -4585 SS 20250326T115344.6Z 9216.495655 98 1 48.35 2 77.82 97.60 68.30 138.96 0.00 1 0.00 1 0 25 6.404e-01 1.081e-02 6.187e-02 1.460e-03 8.075138e-01 8.232404e-04 9.139786e-03 -6.000000e+00 3.856939e-01 226.97 -2.00 3.52 -2.00 321.12 0.00e+00 3.945210e-03 3.862877e-04 2.170247e-03 -6.000000e+00 1.673726e-02 277.96 -2.00 20.00 -2.00 320.64 0.00e+00 4.600 0.002 302.00 328.00 3 1.2453e+00 2.6993e-03 6.3568e-02 -6.0000e+00 9.5771e-01 9.4701e-02 3.7930e-03 4.4693e-02 -6.0000e+00 1.0372e+00 -1.3823e-01 4.0585e-03 2.5694e-02 -6.0000e+00 6.1642e-01 5.0730e-02 1.9304e-03 9.7225e-03 -6.0000e+00 2.6110e-01 6.2626e-04 -7.4428e-04 3.9952e-05 1.3307e-04 -6.0000e+00 1.9036e-02 -9.7811e-05 -7.3259e-05 12 8 8 10 0 0 97.41 21.54 0.15 -0.00010 -0.00569 239 58 1 5 0 202.230 26.00 20.01 21.54 10.87 38.6 970.50 -218865 -193421 -194261 -225817 -309061 -211269 -195290 -176606 -165966 -166235 -179291 -150789 -109852 -112565 -77127 -67520 -57332 -47951 -48498 -30081 -38666 -33142 -32752 -50111 -45336 -25589 -27175 -40768 -30525 -45472 -20590 -12695 -7886 -7948 -11697 -6240 -7447 -4479 1527 5599 2590 4383 2975 -783 3688 4189 4511 4682 3762 2637 7507 8651 7485 7116 5601 4318 2956 3469 2940 2472 3102 3843 4606 4633 4338 1815 2057 601 1952 2845 1563 2397 228 333 -136 -2176 -935 -2358 -642 -660 -921 -1182 -1699 -2030 -979 -764 454 341 1198 358 21 -117 -1764 -1041 62 21 -477 987 546 -382 -503 -1842 -2487 70 253 -1711 -582 -878 -383 386 929 252 142 -96 -436 -314 540 158 994 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