File name: Pandora55s1_QueensNY_20220517_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T121451.2Z 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_20220517_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: 20220517 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 20220517T102029.8Z 8172.430900 203 1 49.73 2 83.14 70.28 89.17 234.97 0.00 1 0.00 1 0 25 7.717e-01 4.604e-02 2.836e-01 1.246e-02 1.091194e+00 8.186526e-03 1.221526e-02 -6.000000e+00 5.038891e-01 231.23 -2.00 3.51 -2.00 322.37 0.00e+00 5.631953e-03 4.263387e-03 1.777417e-02 -6.000000e+00 2.753213e-02 283.84 -2.00 20.00 -2.00 321.90 0.00e+00 7.656 0.008 302.00 328.00 3 8.0630e-01 3.1231e-02 1.5293e-01 -6.0000e+00 1.2570e+00 2.0351e+00 3.7766e-02 1.6725e-01 -6.0000e+00 1.3717e+00 -2.3866e+00 2.4714e-02 4.2274e-02 -6.0000e+00 8.0682e-01 8.7132e-01 1.2658e-02 2.2110e-02 -6.0000e+00 3.4198e-01 2.6763e-05 -4.1906e-03 3.5183e-04 1.3776e-04 -6.0000e+00 2.5543e-02 -1.1975e-03 -2.2520e-04 12 8 8 10 0 0 41.09 22.77 0.67 -0.00120 -0.03269 26 5 1 5 0 1912.340 25.68 20.01 22.77 20.57 32.1 1093.54 900000 900000 900000 -38924 900000 900000 45283 900000 267714 900000 -41467 188076 -42149 287882 900000 900000 24262 37876 900000 900000 900000 136953 900000 -46786 900000 74218 900000 48516 52147 -48051 35065 900000 269267 6936 70516 900000 88872 104745 900000 900000 36292 900000 -15677 14772 110647 900000 21416 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900000 4049 5960 4708 2167 1599 1738 9935 6757 9708 -4035 3395 -4671 2414 -4678 3632 753 -5850 6070 401 1164 -1666 -4654 -3481 -15695 -2150 2768 710 576 7664 5975 3674 23 -565 -2034 10159 4427 -13508 -546 -3906 -6153 -3443 1469 6301 955 151 -6010 -1238 6419 11530 -658 155 -1707 1691 -1000 -3779 -3226 7653 186 5690 2173 -2749 4653 1568 3186 -2809 -3003 -5298 1253 -3214 SS 20220517T103149.3Z 8172.438765 206 1 49.62 2 81.11 72.03 90.88 236.74 0.00 1 0.00 1 0 25 8.098e-01 2.015e-02 2.317e-01 4.145e-03 9.439191e-01 2.502989e-03 1.031864e-02 -6.000000e+00 5.031996e-01 231.23 -2.00 3.51 -2.00 321.85 0.00e+00 1.324481e-02 1.486354e-03 5.777784e-03 -6.000000e+00 2.460119e-02 283.84 -2.00 20.00 -2.00 321.37 0.00e+00 6.123 0.004 302.00 328.00 3 9.7674e-01 9.6398e-03 9.3181e-02 -6.0000e+00 1.2690e+00 4.8283e-01 1.4893e-02 8.6542e-02 -6.0000e+00 1.3850e+00 -6.0268e-01 1.5747e-02 2.8921e-02 -6.0000e+00 8.1128e-01 2.3755e-01 7.0043e-03 2.0082e-02 -6.0000e+00 3.3600e-01 1.5533e-04 -2.7132e-03 1.1306e-04 1.7751e-04 -6.0000e+00 2.5385e-02 -3.4110e-03 -1.3052e-04 12 8 8 10 0 0 28.47 22.77 0.31 -0.00341 -0.02380 70 13 1 5 0 708.780 25.68 20.02 22.77 21.49 31.9 1098.35 900000 900000 900000 -338940 -221221 900000 -288595 900000 900000 -148298 -311046 -242277 -210386 -116815 900000 -26880 -150460 900000 900000 900000 900000 -37698 900000 -131892 -51791 -59902 900000 -59621 -96242 -134827 -34462 104268 2268 -60110 51807 900000 -20782 -28137 182158 129761 2135 75432 -15407 -7020 14229 342922 -14156 141000 65139 87029 15809 29307 294 66182 43646 36211 53598 38407 41986 20757 8583 38509 6600 -157 28757 -4533 22422 2058 17081 5153 4134 2489 13636 -731 13773 3520 7673 14292 2733 2011 -193 10804 947 3092 -5271 -944 -2439 -1740 -2549 -933 -503 -1140 2540 -1900 -1197 -750 -1704 -293 -4456 -1184 -352 -790 -593 2677 74 -921 -1961 -1140 -781 1473 -358 -2857 -456 -960 -742 388 845 1889 653 -32 -1038 481 1461 1740 -102 931 33 1498 679 -597 119 1015 990 1073 683 -886 355 -271 -43 -860 -432 -504 315 -535 900000 900000 900000 -8116 -1615 900000 -3813 900000 900000 -598 -6424 -3002 -2541 -795 900000 -134 -2987 900000 900000 900000 900000 -350 900000 -3130 -597 -769 900000 -780 -1851 -4176 -508 515 37 -1983 608 900000 -494 -802 813 1147 73 1415 -729 -323 554 1383 -779 1923 1970 2359 928 1714 25 3378 2960 2757 3587 2964 3081 1802 838 3052 794 -23 3666 -834 3299 377 2949 1117 1011 661 3334 -197 3004 767 1484 2570 597 516 -61 3595 390 1363 -2658 -481 -1326 -975 -1459 -521 -270 -586 1215 -955 -648 -464 -1243 -245 -4343 -1209 -359 -764 -521 2119 59 -777 -1754 -1071 -788 1614 -447 -4017 -669 -1449 -1109 563 1202 2697 974 -50 -1649 741 2148 2466 -142 1261 44 1957 944 -933 207 1924 2004 2289 1541 -2114 873 -681 -109 -2159 -1050 -1166 684 -1136 SS 20220517T104315.6Z 8172.446708 211 1 49.39 2 79.04 73.79 92.65 238.50 0.00 1 0.00 1 0 25 6.148e-01 1.039e-02 1.888e-01 2.013e-03 8.061398e-01 1.140549e-03 8.982254e-03 -6.000000e+00 3.736580e-01 231.23 -2.00 3.51 -2.00 321.19 0.00e+00 6.882025e-03 5.669761e-04 2.192560e-03 -6.000000e+00 1.741368e-02 283.84 -2.00 20.00 -2.00 320.63 0.00e+00 5.068 0.002 302.00 328.00 3 9.2044e-01 3.8762e-03 6.9153e-02 -6.0000e+00 9.3575e-01 1.4077e-01 5.5315e-03 5.0141e-02 -6.0000e+00 1.0144e+00 -1.3169e-01 5.7761e-03 2.3339e-02 -6.0000e+00 6.0058e-01 4.0057e-02 2.7063e-03 1.2821e-02 -6.0000e+00 2.4886e-01 5.4124e-04 -1.9851e-03 5.4846e-05 1.0869e-04 -6.0000e+00 1.8958e-02 -3.9227e-03 -1.2126e-04 12 8 8 10 0 0 29.00 22.77 0.31 -0.00392 -0.01884 136 26 1 5 0 363.030 25.68 20.00 22.77 22.40 32.0 1100.00 -207155 -54756 900000 -308050 900000 -181634 -220200 900000 -13972 -158266 -237338 -135101 -189888 -91630 263986 -41670 -93128 -25258 900000 125510 9404 -53065 22823 -78527 -27009 -46971 900000 -57216 -44643 -87532 -27444 -1605 -10901 -42186 -162 71592 -20574 -14343 12263 17486 -11094 7148 -10898 -4004 -411 17899 -3838 10124 11632 11818 6244 2019 2375 10948 9698 4507 6478 2872 4556 1680 -554 9299 1522 238 3852 581 3845 1412 3715 2187 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