File name: Pandora69s1_NewBrunswickNJ_20220116_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T193213.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c23p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 69 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20220116_L1_smca1c23d20210421p1-8.txt Full location name: Rutgers NJDEP (USEPA AQS ID 34-023-0011) Short location name: NewBrunswickNJ Country of location: USA Location latitude [deg]: 40.4622 Location longitude [deg]: -74.4294 Location altitude [m]: 19 Local noon date: 20220116 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: based on s13, field cal for NewBrunswick, revisited HCHO First and last pixel inside fitting window: 259 400 Nominal wavelengths inside fitting window [nm]: 305.1248 305.2657 305.4066 305.5475 305.6883 305.8292 305.9700 306.1109 306.2517 306.3925 306.5333 306.6741 306.8148 306.9556 307.0963 307.2371 307.3778 307.5185 307.6592 307.7999 307.9406 308.0812 308.2219 308.3625 308.5032 308.6438 308.7844 308.9250 309.0656 309.2062 309.3467 309.4873 309.6278 309.7683 309.9089 310.0494 310.1898 310.3303 310.4708 310.6113 310.7517 310.8921 311.0326 311.1730 311.3134 311.4537 311.5941 311.7345 311.8748 312.0152 312.1555 312.2958 312.4361 312.5764 312.7167 312.8570 312.9972 313.1375 313.2777 313.4179 313.5581 313.6983 313.8385 313.9787 314.1189 314.2590 314.3991 314.5393 314.6794 314.8195 314.9596 315.0997 315.2397 315.3798 315.5198 315.6599 315.7999 315.9399 316.0799 316.2199 316.3598 316.4998 316.6397 316.7797 316.9196 317.0595 317.1994 317.3393 317.4792 317.6190 317.7589 317.8987 318.0386 318.1784 318.3182 318.4580 318.5978 318.7375 318.8773 319.0170 319.1568 319.2965 319.4362 319.5759 319.7156 319.8552 319.9949 320.1345 320.2742 320.4138 320.5534 320.6930 320.8326 320.9722 321.1117 321.2513 321.3908 321.5303 321.6698 321.8093 321.9488 322.0883 322.2278 322.3672 322.5067 322.6461 322.7855 322.9249 323.0643 323.2037 323.3430 323.4824 323.6217 323.7611 323.9004 324.0397 324.1790 324.3183 324.4575 324.5968 324.7360 324.8753 --------------------------------------------------------------------------------------- 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 20220116T125401.6Z 8051.537518 288 1 50.11 2 84.99 123.02 101.40 318.62 0.00 1 0.00 1 0 25 6.825e-01 5.985e-02 5.423e-01 5.148e-02 1.055938e+00 3.243755e-02 1.151224e-02 -6.000000e+00 4.044580e-01 223.83 -2.00 3.50 -2.00 322.30 0.00e+00 2.260468e-03 1.169694e-02 1.116642e-03 -6.000000e+00 1.955604e-02 275.59 -2.00 20.00 -2.00 321.95 0.00e+00 9.818 0.017 302.00 328.00 3 -5.1941e-01 1.0318e-01 1.1201e-01 -6.0000e+00 1.0069e+00 2.2158e+00 1.1842e-01 5.2456e-02 -6.0000e+00 1.1008e+00 -2.3057e+00 8.3472e-02 2.8014e-02 -6.0000e+00 6.4653e-01 8.1929e-01 4.9447e-02 9.6948e-03 -6.0000e+00 2.7757e-01 1.3575e-05 -1.4758e-03 1.4780e-03 1.5942e-04 -6.0000e+00 2.0026e-02 1.0679e-02 8.0825e-05 12 8 8 10 0 0 18.12 22.42 1.83 0.01068 -0.00041 18 4 1 5 0 2783.050 25.68 20.02 22.42 -6.32 13.2 823.92 78776 7035 900000 -11825 900000 -49862 -60152 -17064 900000 900000 -90501 900000 -25527 96970 34222 900000 37648 900000 76407 -56222 164892 -38897 900000 7268 260170 -1825 900000 -38415 900000 900000 262749 900000 18166 96974 -25134 -3455 -10881 117134 222595 900000 144561 97418 163949 2640 900000 33621 13165 900000 160369 87534 68712 900000 -49601 31627 199125 89072 126219 -17213 39622 22294 65244 46820 176826 -30432 60954 -16352 54526 130822 72883 49499 8397 128193 -4257 50276 27321 81814 -20383 -14887 -1343 -6720 21980 4362 20100 46847 18151 -6109 -4592 16305 -18716 3224 -13495 -13263 15674 23471 -4084 514 -15867 4495 19071 -1144 -1609 -8122 -7452 -15737 5130 -4195 -10643 -2444 -8579 8392 -2491 517 -4193 3278 -7133 3380 6019 739 -497 -7201 9231 1603 18053 233 3067 2367 1115 3973 -2040 -1347 1610 2894 1931 472 -3373 -714 1451 -1078 906 -1796 1990 -2114 3941 640 900000 -914 900000 -4082 -5198 -931 900000 900000 -9468 900000 -1974 4852 2024 900000 2397 900000 3823 -7927 8250 -3715 900000 430 13017 -108 900000 -2621 900000 900000 13146 900000 1157 4852 -2058 -220 -792 5861 11137 900000 7233 4874 8203 228 900000 2187 1054 900000 8024 4380 4125 900000 -10153 3323 9963 5348 6315 -2670 3172 2008 3917 3748 8847 -6699 5490 -3191 5456 6546 7293 6934 1849 8338 -958 5786 3417 5322 -3671 -2830 -269 -1715 4949 1331 5632 10548 5721 -2537 -1907 5466 -8615 1113 -5131 -4911 4549 7163 -1962 283 -12226 3239 12500 -887 -1143 -5405 -4511 -10551 2952 -2791 -8201 -1944 -8413 8146 -3066 662 -5749 4116 -9671 4109 7378 1002 -706 -10809 11131 1972 18155 271 3376 2582 1273 5050 -3277 -2493 3263 6341 4619 1239 -9806 -2083 4189 -3192 2530 -4763 4670 -4824 SS 20220116T130653.4Z 8051.546452 291 1 49.70 2 82.96 125.25 102.92 321.00 0.00 1 0.00 1 0 25 5.852e-01 2.423e-02 3.258e-01 9.778e-03 9.729484e-01 5.895776e-03 1.042628e-02 -6.000000e+00 3.444901e-01 223.83 -2.00 3.50 -2.00 322.29 0.00e+00 5.093518e-03 2.631834e-03 1.496400e-03 -6.000000e+00 1.500742e-02 275.59 -2.00 20.00 -2.00 321.95 0.00e+00 7.501 0.008 302.00 328.00 3 -2.6986e-01 1.9639e-02 9.0937e-02 -6.0000e+00 8.5495e-01 1.1408e+00 2.7479e-02 5.2786e-02 -6.0000e+00 9.3575e-01 -1.4590e+00 2.9765e-02 3.0951e-02 -6.0000e+00 5.4878e-01 5.8656e-01 1.4720e-02 1.1195e-02 -6.0000e+00 2.3104e-01 1.3888e-04 -1.9785e-03 2.8995e-04 1.6606e-04 -6.0000e+00 1.7128e-02 9.6620e-03 1.2271e-05 12 8 8 10 0 0 28.09 22.44 0.63 0.00966 -0.00521 78 16 1 5 0 637.000 25.68 20.00 22.44 -5.86 13.2 827.83 78707 -59728 900000 -97623 900000 -183924 900000 -104150 -757 -41480 -138461 91871 -93023 900000 -65423 900000 22782 900000 -38499 75965 -26058 17943 204572 -52189 900000 -90402 900000 -116964 305863 -20012 14962 83437 -11619 139125 -15258 96917 -21369 58428 48184 91788 87176 32482 81383 5808 158456 -13689 155378 9753 80334 34316 63406 55660 23912 74031 34190 66709 -2346 66162 19776 58693 30462 21333 36291 10936 36624 5304 35792 8128 23703 16441 13683 22738 9880 18703 -2888 26924 -10900 16336 -5793 2631 3224 739 4542 -4311 8763 -6809 6108 -1791 5590 1392 764 263 -6902 2098 -5279 -919 -4939 236 -3392 -1609 -1779 -4002 -553 -4256 -1417 -5774 -619 -4687 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1.047e-02 1.530e-01 3.592e-03 8.449262e-01 2.024014e-03 9.118217e-03 -6.000000e+00 3.982859e-01 223.83 -2.00 3.50 -2.00 321.89 0.00e+00 6.390320e-03 8.798988e-04 1.192631e-03 -6.000000e+00 1.614629e-02 275.59 -2.00 20.00 -2.00 321.55 0.00e+00 6.175 0.004 302.00 328.00 3 -2.6179e-01 6.5246e-03 7.6115e-02 -6.0000e+00 9.8816e-01 3.5910e-01 1.0194e-02 4.6599e-02 -6.0000e+00 1.0770e+00 -4.2112e-01 1.2502e-02 2.7914e-02 -6.0000e+00 6.3489e-01 1.6593e-01 5.9835e-03 1.0013e-02 -6.0000e+00 2.6974e-01 6.1195e-04 -7.2759e-04 1.0592e-04 1.3493e-04 -6.0000e+00 1.9567e-02 8.7865e-03 3.3922e-05 12 8 8 10 0 0 34.05 22.45 0.40 0.00879 0.00332 184 38 1 5 0 267.230 25.68 20.00 22.45 -5.32 13.2 831.43 -205046 -236954 -192809 -240801 -215822 -251153 -231689 -237251 -169280 -167960 -199671 -177697 -163023 -103975 -88430 -49233 -73661 -42469 -66242 -67797 -73008 -62925 -46116 -68996 -20591 -69394 -42982 -67428 -64074 -52249 -53464 -14702 -9891 -11163 -37644 14569 -4155 2758 3471 3956 3310 4815 22326 3477 4872 5518 19050 9829 14152 14461 11189 14149 10578 12301 15239 12435 5842 9126 6007 6984 7102 4727 5317 3776 8013 6709 7412 3044 5912 5712 4200 3669 3172 2867 -1077 1900 -571 -1352 -753 -959 -557 -2436 -1490 -1957 -316 -1289 -22 287 1548 -65 297 -660 -1121 -1031 -1867 -449 25 102 -184 -327 -92 -736 -267 -1400 -2062 -1084 -749 -738 -424 -674 -377 -129 -242 -18 -191 391 213 28 -76 -87 570 707 802 431 1224 68 1474 494 366 384 33 181 61 -19 -283 -30 370 73 -270 -204 -254 -499 -1508 -2738 -1486 -2783 -1814 -3078 -2515 -2991 -1186 -1235 -2238 -2054 -2227 -1056 -991 -448 -980 -461 -974 -1045 -1176 -926 -614 -1232 -238 -1361 -647 -1275 -1257 -1116 -1460 -330 -242 -281 -1187 286 -112 83 126 152 141 216 881 169 240 281 892 541 811 925 844 1158 990 1230 1553 1346 681 999 656 758 828 644 840 678 1421 1213 1390 644 1387 1522 1214 1075 889 737 -257 404 -124 -327 -217 -334 -208 -1052 -687 -964 -163 -708 -12 162 846 -34 145 -342 -548 -559 -1197 -336 22 101 -191 -329 -85 -607 -206 -1126 -1773 -972 -721 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