File name: Pandora55s1_QueensNY_20240528_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T140146.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240528_L1_smca1c18d20230426p1-8.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: 20240528 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 20240528T102607.7Z 8914.434811 200 1 51.12 2 80.88 69.32 66.50 197.79 0.00 1 0.00 1 0 25 6.861e-01 3.080e-02 2.292e-01 5.825e-03 8.615441e-01 3.470625e-03 9.648286e-03 -6.000000e+00 4.287761e-01 231.92 -2.00 3.51 -2.00 321.73 0.00e+00 8.444197e-03 1.933139e-03 8.218178e-04 -6.000000e+00 2.033743e-02 285.03 -2.00 20.00 -2.00 321.22 0.00e+00 5.983 0.004 302.00 328.00 3 1.9474e+00 1.2905e-02 7.6820e-02 -6.0000e+00 1.0787e+00 7.2610e-01 1.7403e-02 5.0463e-02 -6.0000e+00 1.1705e+00 -1.0243e+00 1.5367e-02 2.5011e-02 -6.0000e+00 6.8860e-01 4.1950e-01 7.0562e-03 1.2718e-02 -6.0000e+00 2.8442e-01 7.2529e-05 -2.3396e-03 1.6497e-04 1.7384e-04 -6.0000e+00 2.2157e-02 3.6230e-04 0.0000e+00 12 8 8 10 0 0 86.67 16.18 0.53 0.00036 -0.01722 38 7 1 5 0 1345.020 26.11 19.98 16.18 25.71 37.1 1097.24 -138395 -121812 900000 -186538 900000 900000 -112924 900000 900000 -70125 -162729 -148695 -155348 -44100 900000 -36293 -62918 23255 900000 900000 -48785 174689 236362 -109934 20781 39815 900000 83819 -62647 -67212 10477 197855 41405 32249 24178 900000 10037 -30754 900000 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-609 -2566 5037 141 1167 -828 510 -3702 -1702 -3779 -1789 63 -2775 524 -249 -1435 1 -3390 -1493 -2805 -1507 -2576 -1740 -702 2924 -999 -1684 -2709 -4256 -1311 2239 170 -6227 -372 -3087 -1695 -1822 1827 3617 132 408 -1877 1052 4874 7410 811 3267 -445 2990 220 -875 2755 2974 3197 2063 2868 -1987 1107 212 -630 -3647 -1808 -1644 -274 -2848 SS 20240528T103733.8Z 8914.442752 205 1 50.50 2 78.84 71.05 67.16 200.48 0.00 1 0.00 1 0 25 6.215e-01 1.547e-02 1.352e-01 2.304e-03 7.532999e-01 1.310363e-03 8.428449e-03 -6.000000e+00 3.825271e-01 231.92 -2.00 3.51 -2.00 321.08 0.00e+00 5.825153e-03 6.333133e-04 8.210330e-04 -6.000000e+00 1.709622e-02 285.03 -2.00 20.00 -2.00 320.50 0.00e+00 4.985 0.002 302.00 328.00 3 1.5307e+00 4.4086e-03 6.4993e-02 -6.0000e+00 9.6151e-01 1.2655e-01 6.0820e-03 4.2942e-02 -6.0000e+00 1.0415e+00 -1.8634e-01 6.0194e-03 2.1995e-02 -6.0000e+00 6.1630e-01 7.4419e-02 2.8418e-03 1.0682e-02 -6.0000e+00 2.5463e-01 3.4603e-04 -1.2099e-03 6.5317e-05 1.0655e-04 -6.0000e+00 1.8956e-02 -4.3412e-04 0.0000e+00 12 8 8 10 0 0 60.35 15.78 0.28 -0.00043 -0.00953 102 19 1 5 0 494.950 26.11 19.98 15.78 26.46 37.4 1100.00 -295850 -138547 900000 -199747 -169179 900000 -169056 900000 -51286 -170623 -150994 -180776 -62469 -230871 900000 -67442 -76278 900000 900000 62218 -77190 23567 -29323 -43167 -57536 24817 331909 48792 -69305 -42127 -28691 21172 18252 -20977 14573 48388 13195 -29076 39868 5266 8366 3690 -3133 517 2072 30552 -2490 24422 1832 26116 3424 12314 -2422 22772 12511 7481 10731 5827 12216 -505 8329 5900 9358 -2577 10178 -2491 6395 28 3994 4533 713 3309 1549 323 921 2006 426 5549 -1167 604 -1902 2211 -1799 -1888 -1919 -2208 -1617 -1645 -894 -1450 75 -562 680 907 238 641 -1147 22 -1026 -308 -913 -336 -361 1316 -375 -1165 -1156 -1446 -266 -141 273 -1369 373 -325 -180 366 1234 998 404 -5 -956 -203 31 1223 -33 884 95 1945 831 38 530 553 833 345 518 -636 26 -22 -207 -788 -430 -292 -101 -61 -6114 -789 900000 -2396 -1466 900000 -1458 900000 -175 -2019 -1602 -2870 -397 -9414 900000 -960 -1396 900000 900000 415 -2021 244 -513 -913 -1503 319 745 521 -2270 -1133 -787 443 471 -872 453 1088 427 -1570 1362 296 527 268 -261 44 177 2073 -236 1882 183 2244 396 1470 -368 3016 1964 1299 1887 1088 2138 -97 1487 1132 1936 -670 2601 -749 1785 8 1213 1527 277 1358 663 137 370 737 146 1756 -410 235 -880 1131 -1066 -1212 -1301 -1583 -1214 -1283 -707 -1146 57 -409 467 613 169 502 -1028 22 -1147 -365 -1094 -383 -381 1295 -372 -1214 -1262 -1652 -318 -181 382 -2087 589 -522 -285 560 1831 1490 622 -8 -1578 -332 50 1878 -49 1294 137 2719 1204 60 911 1019 1612 696 1088 -1404 58 -50 -484 -1847 -986 -645 -213 -125 SS 20240528T104347.9Z 8914.447082 208 1 50.63 2 77.72 71.99 67.56 201.93 0.00 1 0.00 1 0 25 4.308e-01 9.615e-03 7.743e-02 1.667e-03 6.984150e-01 9.225137e-04 7.891098e-03 -6.000000e+00 2.614308e-01 231.92 -2.00 3.51 -2.00 320.73 0.00e+00 3.422619e-03 3.982015e-04 1.012707e-03 -6.000000e+00 1.155457e-02 285.03 -2.00 20.00 -2.00 320.12 0.00e+00 4.564 0.002 302.00 328.00 3 1.4134e+00 2.9438e-03 5.9654e-02 -6.0000e+00 6.5568e-01 5.7569e-02 3.8884e-03 3.9178e-02 -6.0000e+00 7.0814e-01 -7.3970e-02 3.7516e-03 1.9219e-02 -6.0000e+00 4.2000e-01 2.3025e-02 1.8239e-03 7.8346e-03 -6.0000e+00 1.7540e-01 6.1831e-04 -1.0540e-03 4.7260e-05 7.6349e-05 -6.0000e+00 1.3065e-02 -3.1329e-04 0.0000e+00 12 8 8 10 0 0 61.95 16.10 0.23 -0.00031 -0.00823 144 27 1 5 0 351.530 26.11 20.01 16.10 26.66 37.3 1100.00 -184892 -196150 900000 -189225 -53615 -44017 -116474 900000 -116367 -96410 -155316 -100379 -126521 -139228 26339 -24429 -67768 -50645 37094 17865 -37426 -10045 -265 -58553 -10171 -34121 98729 -25536 -21911 -44734 -11282 649 -7234 -8119 -7666 24739 -19840 -5321 702 11389 -8351 2395 -6862 -1443 862 9809 -1428 4135 5844 4263 3265 1343 602 7164 7740 2391 4699 2283 3947 310 1298 5838 2151 329 2581 595 3151 1073 2459 2221 761 423 696 -1091 1354 -204 1566 1695 903 -817 -1186 610 -1637 -1241 -1490 -815 -1931 -780 -1107 -610 -304 529 653 1063 926 876 212 131 -352 -937 -101 -452 86 990 -138 -1276 -957 -1012 4 156 43 -513 -148 -91 -277 522 949 1089 455 -466 -904 -179 174 153 53 54 364 1462 900 -187 527 321 644 260 216 -249 -179 191 -468 -690 -220 -127 7 95 -1851 -2679 900000 -2795 -211 -154 -857 900000 -1091 -827 -2514 -1084 -2137 -3373 172 -319 -1547 -1113 397 248 -908 -195 -5 -1964 -238 -1066 930 -774 -642 -1693 -356 22 -312 -393 -383 914 -1146 -305 46 803 -816 235 -783 -164 98 1059 -175 500 727 573 481 224 112 1378 1596 545 1097 553 943 75 313 1419 594 103 871 212 1095 382 910 909 350 210 355 -556 643 -92 640 665 370 -376 -631 363 -1100 -893 -1132 -649 -1628 -676 -981 -535 -259 427 503 801 725 750 204 141 -415 -1172 -126 -541 96 1041 -146 -1420 -1109 -1223 5 210 63 -800 -239 -149 -443 807 1429 1645 707 -755 -1505 -296 281 240 81 81 533 2087 1323 -296 901 585 1226 514 444 -534 -397 431 -1067 -1574 -491 -274 15 194 SS 20240528T104918.4Z 8914.450907 211 1 50.59 2 76.73 72.82 67.93 203.20 0.00 1 0.00 1 0 25 3.038e-01 7.753e-03 4.921e-02 1.340e-03 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