File name: Pandora55s1_QueensNY_20211127_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105120.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211127_L1_smca1c19d20211111p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20211127 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: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20211127T132346.3Z 8001.558174 308 1 49.74 2 77.32 133.12 40.34 238.11 0.00 1 0.00 1 0 25 6.119e-01 4.959e-02 1.975e-01 9.175e-03 5.896461e-01 5.155926e-03 7.092944e-03 -6.000000e+00 3.693241e-01 223.09 -2.00 3.51 -2.00 320.77 0.00e+00 6.172899e-03 2.044216e-03 2.293238e-03 -6.000000e+00 2.003340e-02 279.23 -2.00 20.00 -2.00 320.21 0.00e+00 4.432 0.002 302.00 328.00 3 4.1803e+00 1.5835e-02 5.3590e-02 -6.0000e+00 9.1477e-01 3.7419e-01 1.9747e-02 3.0959e-02 -6.0000e+00 1.0059e+00 -5.1636e-01 1.6102e-02 1.8392e-02 -6.0000e+00 5.9076e-01 2.2512e-01 7.8905e-03 8.0935e-03 -6.0000e+00 2.5065e-01 4.7355e-05 -3.4187e-03 2.9048e-04 1.1623e-04 -6.0000e+00 1.9209e-02 2.8581e-03 -1.3239e-04 12 8 8 10 0 0 99.94 22.68 0.98 0.00286 -0.02283 28 5 1 5 0 1776.240 25.58 20.00 22.68 8.22 29.4 955.06 900000 900000 900000 -139943 900000 900000 -46166 900000 900000 349005 -158858 900000 -114305 -106574 900000 43633 -69151 900000 900000 900000 900000 19469 900000 -8246 211085 -11646 900000 225782 -8987 -32190 4093 256774 52490 -8682 37104 900000 15607 17626 150527 70467 16959 39260 571 15120 58679 83547 1762 103984 70922 66223 26889 8866 -765 73659 60475 27325 53644 35979 39345 17354 20943 45237 18198 -8114 22518 -14619 38882 -3881 16218 5074 -9625 11 18854 -6821 22297 3598 14349 20853 693 -528 -11230 10668 5192 634 -12169 -2092 -8090 -3809 -7937 764 -6583 -6419 -875 52 -3182 -5186 -9587 -4259 1112 -5485 -334 -1118 710 7634 -1097 1427 -2216 234 1799 6104 861 -4846 594 -784 -941 -1360 1994 5082 -1568 1422 -216 -1720 4203 7105 -297 3017 -2172 2391 -183 -2551 1846 3268 2850 1977 2411 -862 1423 -559 -8 -3356 -1203 -2169 260 -1270 900000 900000 900000 -10578 900000 900000 -1220 900000 900000 3113 -14171 900000 -8364 -8884 900000 1273 -6369 900000 900000 900000 900000 915 900000 -506 1883 -783 900000 2014 -561 -2534 253 2291 2716 -846 2359 900000 1190 1463 4234 4828 2128 4322 94 2225 5829 6686 302 7032 6633 6734 4165 1762 -180 9311 9116 5751 9090 7164 7466 3936 4599 8337 4726 -2965 6672 -6225 9862 -1442 5193 1982 -4758 5 7841 -3500 8229 1451 4803 6258 258 -222 -6002 5310 3009 412 -9355 -1550 -6668 -3146 -6940 611 -5433 -4985 -608 35 -2281 -4178 -9070 -4332 1198 -6629 -385 -1224 703 6734 -1060 1417 -2404 260 2098 7402 1194 -7567 921 -1231 -1431 -1986 2739 6836 -2310 2138 -341 -2738 6221 9977 -430 4128 -3008 3115 -251 -3874 2960 5555 5100 3702 4703 -1813 3056 -1244 -17 -7686 -2645 -4612 517 -2490 SS 20211127T133748.0Z 8001.567917 317 1 50.06 2 75.42 135.86 42.63 241.77 0.00 1 0.00 1 0 25 3.333e-01 2.249e-02 9.496e-02 4.891e-03 5.396879e-01 2.633044e-03 6.107613e-03 -6.000000e+00 1.984576e-01 223.09 -2.00 3.51 -2.00 320.26 0.00e+00 4.048081e-03 9.497765e-04 9.750829e-04 -6.000000e+00 9.457844e-03 279.22 -2.00 20.00 -2.00 319.69 0.00e+00 3.892 0.001 302.00 328.00 3 3.8066e+00 7.8111e-03 4.7270e-02 -6.0000e+00 4.8774e-01 1.1651e-01 9.6608e-03 2.7442e-02 -6.0000e+00 5.3221e-01 -1.1155e-01 8.4198e-03 1.5614e-02 -6.0000e+00 3.1567e-01 4.3546e-02 4.2443e-03 7.1545e-03 -6.0000e+00 1.3513e-01 1.2729e-04 2.4631e-03 1.5198e-04 8.2301e-05 -6.0000e+00 1.0295e-02 -8.7107e-03 8.2831e-04 12 8 8 10 0 0 100.00 22.68 0.40 -0.00871 0.00980 51 10 1 5 0 981.400 25.58 20.00 22.68 8.38 29.4 955.65 900000 900000 900000 -160135 8055 900000 -87670 900000 43914 -55111 -146444 -44283 -98635 -101279 900000 -11148 -68402 101758 900000 117868 65788 -152 58878 -31797 15654 -7683 900000 30544 -6761 -42947 -7500 29164 3872 -12404 4058 122783 -4138 -2693 31977 9101 -632 8919 -8132 -1424 12323 19571 -2454 18089 9276 22397 5313 -2534 -3240 18907 14666 7563 10611 7879 9188 139 5849 9034 5888 -4159 8729 -6303 9706 -3296 2834 691 -4746 -594 3936 -3768 6654 245 2570 8522 -1042 -462 -4740 3180 -183 194 -5012 -2214 -3304 -1594 -3546 -602 -1185 -2174 -328 823 -35 -534 -2909 -924 -180 -1831 76 -235 506 3243 1292 -337 -494 -1143 283 2123 518 -2039 470 61 -665 -222 884 2310 190 335 -1443 -600 679 2610 -255 742 -628 1487 1101 -722 851 684 979 947 808 -586 902 -207 -230 -1259 -873 -1090 220 -181 900000 900000 900000 -7746 79 900000 -2029 900000 365 -1229 -7857 -1009 -4294 -5531 900000 -386 -4488 1545 900000 1745 1621 -7 1584 -2036 695 -442 900000 1264 -386 -3478 -480 1539 293 -1180 338 3418 -375 -270 2757 1134 -98 1373 -1544 -263 2047 3097 -481 2992 1704 3797 1116 -624 -872 4477 3835 2190 3093 2367 2710 44 1760 2769 2035 -1738 3489 -2935 3807 -1436 1207 330 -2635 -340 2215 -2233 3403 123 1163 3488 -475 -231 -2809 1984 -130 146 -4171 -1894 -3012 -1491 -3427 -564 -1077 -1885 -263 634 -28 -467 -2902 -1012 -214 -2323 95 -277 550 3286 1351 -375 -578 -1401 362 2861 762 -3257 757 98 -1037 -330 1264 3275 284 520 -2342 -966 1063 3914 -381 1066 -882 2011 1533 -1097 1385 1184 1757 1761 1563 -1198 1887 -445 -499 -2750 -1863 -2246 430 -350 SS 20211127T134713.1Z 8001.574457 323 1 49.73 2 74.20 137.75 44.21 244.08 0.00 1 0.00 1 0 25 3.012e-01 1.420e-02 1.423e-01 3.385e-03 5.097466e-01 1.768834e-03 5.809615e-03 -6.000000e+00 1.768583e-01 223.09 -2.00 3.51 -2.00 319.89 0.00e+00 3.532213e-03 5.736492e-04 3.841876e-04 -6.000000e+00 7.885779e-03 279.22 -2.00 20.00 -2.00 319.30 0.00e+00 3.610 0.001 302.00 328.00 3 3.5398e+00 5.0904e-03 4.4316e-02 -6.0000e+00 4.3531e-01 6.9139e-02 6.1708e-03 2.6736e-02 -6.0000e+00 4.7368e-01 -1.2889e-02 5.2989e-03 1.3642e-02 -6.0000e+00 2.8191e-01 -3.8594e-03 2.7285e-03 6.3938e-03 -6.0000e+00 1.1911e-01 2.2313e-04 1.3604e-03 1.0271e-04 6.2683e-05 -6.0000e+00 9.1099e-03 -6.6040e-03 5.4250e-04 12 8 8 10 0 0 100.00 22.68 0.35 -0.00660 0.00362 59 11 1 5 0 842.780 25.58 20.02 22.68 8.43 29.5 956.42 122220 29385 900000 -123149 28029 162984 -40200 900000 58644 -10254 -97574 -32402 -83080 -49740 86934 -14096 -56939 45687 98248 48843 17376 -11023 5750 -20401 7034 -11959 89538 -8924 -2952 -27981 1866 15316 4616 -14913 -4526 49654 -7627 -5803 10598 6717 -5411 1238 -8776 -1703 1814 10094 -3948 5280 5680 7695 5300 -3808 -1454 6426 5923 1933 4884 1937 4240 818 2716 6434 1280 -1132 2061 -2484 4896 -1166 3010 1881 -2752 -857 1869 -2023 3731 -1908 2286 4169 1477 144 -1563 994 -1528 -967 -3647 -1404 -2823 -589 -1852 52 -728 -1 316 1645 937 233 -507 -343 320 -1666 -25 -401 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