File name: Pandora64s1_NewHavenCT_20240916_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240917T045649.2Z 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_20240916_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: 20240916 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 20240916T111506.9Z 9025.468829 186 1 48.92 2 83.05 93.00 120.72 277.63 0.00 1 0.00 1 0 25 5.683e-01 4.882e-02 3.033e-01 1.704e-02 8.660264e-01 1.095549e-02 1.368536e-02 -6.000000e+00 3.602123e-01 229.03 -2.00 3.52 -2.00 321.91 0.00e+00 3.297744e-02 6.032095e-03 1.308889e-02 -6.000000e+00 2.040461e-02 287.44 -2.00 20.00 -2.00 321.40 0.00e+00 7.561 0.008 302.00 328.00 3 1.9800e+00 4.0811e-02 9.8344e-02 -6.0000e+00 9.0645e-01 1.4071e+00 5.1639e-02 5.9336e-02 -6.0000e+00 9.8804e-01 -1.4997e+00 4.0922e-02 3.9914e-02 -6.0000e+00 5.7808e-01 5.6781e-01 1.9834e-02 2.2386e-02 -6.0000e+00 2.4506e-01 1.1508e-05 -4.5752e-03 5.0467e-04 5.5324e-04 -6.0000e+00 1.8101e-02 4.0443e-03 1.5457e-05 12 8 8 10 0 0 63.18 21.69 0.39 0.00404 -0.03034 13 3 1 5 0 3762.400 26.11 20.00 21.69 19.14 39.6 990.51 -33651 900000 43296 900000 -90705 900000 -95251 900000 900000 900000 -104128 900000 62417 900000 900000 900000 68488 900000 67273 900000 -52508 900000 900000 900000 -37974 900000 27575 900000 -7652 -101201 43118 172832 900000 75494 26288 900000 114639 87993 107525 51626 89174 95493 61070 -29983 79071 66747 900000 33284 136011 -40655 195839 -3225 900000 20116 118019 6207 106934 -13516 211445 10258 98363 64343 59419 -8782 154617 23074 62008 38362 40943 8537 80577 12998 52341 -4335 31972 -17308 101201 -6116 8001 6670 19134 -11175 11819 3384 6470 -9918 10087 -7233 8638 2394 -598 6281 -12171 -10554 -7235 7128 -4151 1834 1032 -6289 -6962 3037 -15610 2900 -9297 -6379 -7729 13611 -5961 4838 -864 922 -2482 4488 -2148 -1174 -2200 -98 -444 4874 578 7898 248 8005 1886 3881 -7837 4882 -1208 1266 232 -1216 -659 1122 1561 58 -1992 1035 1271 216 -2587 -1883 -1308 900000 905 900000 -4951 900000 -3938 900000 900000 900000 -3626 900000 1032 900000 900000 900000 1729 900000 1874 900000 -4125 900000 900000 900000 -1752 900000 633 900000 -260 -10127 1466 2859 900000 2497 1213 900000 2317 2506 2766 2514 3114 3247 3086 -3496 3560 3557 900000 2608 4249 -7161 3959 -464 900000 2644 6073 902 5797 -2090 3909 1286 5784 5713 6362 -1997 7956 4138 7719 6278 7199 2196 11082 3332 8976 -1133 5455 -4165 8183 -1411 1912 1953 5744 -4911 4662 1520 2980 -5343 4830 -3959 4179 1174 -282 2660 -6210 -5528 -4302 4373 -3348 1607 976 -6281 -6498 2282 -12971 2035 -7849 -5466 -7256 11331 -6529 5441 -1149 1273 -3577 5907 -2923 -1561 -3060 -140 -668 7014 837 10100 330 9981 2316 4802 -10369 6302 -1928 2240 442 -2522 -1451 2595 3833 150 -5062 2687 3224 520 -5989 -4060 SS 20240916T112555.9Z 9025.476342 189 1 48.83 2 81.02 94.80 122.61 279.57 0.00 1 0.00 1 0 25 3.366e-01 3.187e-02 1.228e-01 5.290e-03 7.251717e-01 3.009403e-03 1.108562e-02 -6.000000e+00 2.043166e-01 229.03 -2.00 3.52 -2.00 321.40 0.00e+00 3.195866e-02 1.524055e-03 1.005400e-02 -6.000000e+00 9.151893e-03 287.44 -2.00 20.00 -2.00 320.84 0.00e+00 6.065 0.004 302.00 328.00 3 1.9521e+00 1.0666e-02 7.8137e-02 -6.0000e+00 5.0814e-01 7.5202e-01 1.3045e-02 4.4388e-02 -6.0000e+00 5.4859e-01 -9.7845e-01 1.0008e-02 3.1514e-02 -6.0000e+00 3.2739e-01 4.1078e-01 4.9309e-03 2.0277e-02 -6.0000e+00 1.3931e-01 7.1108e-05 -2.8693e-03 1.5030e-04 5.2220e-04 -6.0000e+00 1.0015e-02 2.4507e-03 -3.1100e-05 12 8 8 10 0 0 2.81 21.70 0.29 0.00245 -0.01911 43 10 1 5 0 1135.340 26.11 19.97 21.70 19.79 39.4 993.11 -50092 -8073 -30102 16609 -202993 -47793 -57595 -61501 39918 -55443 -102843 -18061 -28878 -39139 64137 28352 34244 79217 39948 41342 67282 53883 63872 20556 16195 18198 -8823 -2277 32874 -46540 32373 43761 77225 40323 51527 26387 51166 16024 49134 35239 53837 27200 36315 7679 36708 29215 64032 40187 41174 15042 54825 48120 50480 23608 32490 19629 14933 13410 20059 9958 15045 14786 20284 14548 23916 14470 16036 15100 9108 10289 8453 4157 2312 1774 -304 -3164 3314 -4570 -5518 3912 -2326 -1424 -4131 -3133 -3674 -2568 -3151 -1613 -600 -564 -4426 -1522 -8264 -5024 -4499 -2875 -3422 562 813 -939 -793 -2010 -4712 -2714 -3285 -3202 -3154 -712 -1952 85 -336 -248 -428 57 -713 -1124 652 819 1482 2583 2028 2728 2890 3664 2759 1813 -687 1406 2320 911 1391 176 64 -486 534 -733 -605 -365 413 -949 -670 -2396 -1480 -174 -833 257 -22076 -1053 -1242 -1269 309 -962 -2894 -271 -677 -1395 1053 798 1012 1634 1255 1280 1514 1263 1258 569 433 461 -290 -72 802 -3055 1230 1744 2499 1891 1981 1299 2087 1022 2511 2264 3030 2105 2742 807 3030 2740 4444 3750 3997 2031 5476 5551 6013 3521 4799 2978 2324 2046 3076 1601 2503 2809 4168 3540 5449 3552 3943 3875 2756 3432 3012 1555 838 597 -94 -925 899 -1444 -2082 1606 -1172 -740 -2360 -1865 -2344 -1701 -2184 -1117 -408 -365 -2786 -889 -5132 -3277 -3388 -2507 -3489 583 892 -1023 -802 -1992 -4497 -2628 -3416 -3485 -3443 -827 -2572 123 -503 -385 -663 92 -1102 -1720 1017 1249 2370 4142 3181 4367 4484 5417 3996 2585 -999 2202 3839 1708 2841 363 140 -1133 1313 -1880 -1569 -956 1052 -2313 -1535 -5286 SS 20240916T113715.9Z 9025.484212 194 1 48.62 2 78.91 96.71 124.58 281.66 0.00 1 0.00 1 0 25 3.563e-01 1.461e-02 6.709e-02 2.350e-03 6.288066e-01 1.311156e-03 7.627518e-03 -6.000000e+00 2.163034e-01 229.03 -2.00 3.52 -2.00 320.75 0.00e+00 6.170689e-03 5.691982e-04 3.433343e-03 -6.000000e+00 9.688052e-03 287.44 -2.00 20.00 -2.00 320.11 0.00e+00 5.010 0.002 302.00 328.00 3 1.9446e+00 4.2469e-03 6.1432e-02 -6.0000e+00 5.3795e-01 1.0622e-01 5.4808e-03 3.7083e-02 -6.0000e+00 5.8076e-01 -1.4754e-01 4.9373e-03 2.0496e-02 -6.0000e+00 3.4659e-01 5.6471e-02 2.4165e-03 7.1168e-03 -6.0000e+00 1.4750e-01 2.5982e-04 -9.6000e-04 6.9632e-05 1.2040e-04 -6.0000e+00 1.0602e-02 1.5817e-03 -3.4147e-05 12 8 8 10 0 0 63.02 21.65 0.21 0.00158 -0.00563 92 22 1 5 0 528.350 26.11 20.00 21.65 20.24 39.6 994.95 -111390 -87550 -114265 -86324 -254692 -93649 -97868 -83222 -90160 -74697 -112988 -47843 -75614 -18236 -23081 -3715 -29067 13903 -18068 -50 -10940 20561 -5426 -1301 -17223 -8603 -24375 -6787 -20441 -24528 -16171 -288 1203 8192 -3301 246 3174 1864 10328 4132 4190 4190 3391 314 6058 4604 10605 7729 5312 -86 9678 5633 10189 5640 6108 2448 2389 1861 5049 309 4475 3035 5204 3772 5486 603 2965 744 2467 2474 1547 902 993 -707 -466 -2776 -343 -3821 -1131 -361 -1690 -1373 -1665 -2584 -836 -1000 -63 -367 1089 905 -199 -298 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