File name: Pandora55s1_QueensNY_20240824_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240825T051325.2Z 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_20240824_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: 20240824 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 20240824T110927.1Z 9002.464897 220 1 50.18 2 80.72 83.65 38.46 239.30 0.00 1 0.00 1 0 33 5.210e-01 3.709e-02 1.300e-01 6.522e-03 7.448683e-01 3.775060e-03 8.935848e-03 -6.000000e+00 3.250364e-01 231.00 -2.00 3.51 -2.00 321.42 0.00e+00 1.556803e-02 1.900308e-03 1.832504e-03 -6.000000e+00 1.513813e-02 289.58 -2.00 20.00 -2.00 320.82 0.00e+00 5.888 0.004 302.00 328.00 3 2.2982e+00 1.3436e-02 7.0992e-02 -6.0000e+00 8.1635e-01 7.3374e-01 1.6779e-02 4.2511e-02 -6.0000e+00 8.8633e-01 -1.0158e+00 1.2250e-02 2.2489e-02 -6.0000e+00 5.2140e-01 4.2806e-01 5.9332e-03 1.6798e-02 -6.0000e+00 2.1569e-01 6.1704e-05 -2.6483e-03 1.9120e-04 2.5145e-04 -6.0000e+00 1.6340e-02 3.6208e-03 0.0000e+00 12 8 8 10 0 0 47.66 22.53 0.31 0.00362 -0.01628 29 5 1 5 0 1729.870 26.21 19.98 22.53 26.61 37.8 1060.24 -86441 -89925 900000 -135008 900000 -23295 900000 900000 900000 -46574 -88909 -97477 -52189 -60494 900000 93731 -71205 -75192 900000 900000 -508 900000 146741 -62363 21331 7300 24272 8214 5641 -55244 63126 68355 79367 33314 74207 900000 25287 -10121 123220 227676 1132 137555 -3912 59952 21876 900000 -2769 219943 82704 105568 49138 45415 12321 93688 115838 39493 82414 46589 70677 10847 29969 53069 21274 -1054 36889 -4752 48051 10063 9563 25365 5410 21776 19218 -3554 24634 2370 7863 18212 2999 -8544 -7076 13871 105 -32 -4805 -2801 -7082 -5101 -7853 -1945 -2117 -3503 -1087 1363 -4930 -959 -6467 -4131 -2966 -1078 -832 -2794 1137 2905 2078 -3489 -2679 -4506 -812 2138 390 -3903 -757 -466 -1136 -856 1665 -1707 480 763 -1274 106 4323 6678 1185 1143 305 1904 1759 -567 2395 2048 2278 1517 1700 -1263 844 270 -466 -1574 -1135 -898 -580 -2098 -3281 -4119 900000 -9679 900000 -471 900000 900000 900000 -1051 -2940 -3663 -1517 -2424 900000 1354 -5429 -6448 900000 900000 -23 900000 1562 -4563 711 273 760 290 201 -3605 1565 1929 2361 1652 2529 900000 1275 -757 3047 2391 109 4017 -442 3875 2043 900000 -337 3475 4868 5277 4426 4600 1845 7088 7507 5311 7570 5900 6993 1811 4181 6257 3720 -255 6907 -1364 8437 2503 2485 6263 1775 6602 6090 -1352 6762 733 2102 4246 840 -2999 -2871 5370 52 -17 -2836 -1712 -4743 -3496 -5645 -1317 -1395 -2218 -638 769 -3063 -643 -5224 -3764 -3000 -1157 -904 -2938 1064 2500 1786 -3298 -2655 -4771 -891 2493 511 -5770 -1155 -723 -1743 -1269 2362 -2505 714 1185 -2075 170 6542 9622 1732 1630 426 2576 2461 -885 4044 3769 4431 3110 3641 -2905 1984 651 -1138 -3874 -2722 -2061 -1259 -4477 SS 20240824T111854.2Z 9002.471461 225 1 12.09 2 78.94 85.16 39.95 241.89 0.00 1 0.00 1 0 25 4.720e-01 2.143e-02 1.962e-01 6.982e-03 6.567564e-01 3.881982e-03 7.557016e-03 -6.000000e+00 2.867692e-01 231.00 -2.00 3.51 -2.00 320.76 0.00e+00 4.883700e-03 1.679339e-03 1.096875e-03 -6.000000e+00 1.342672e-02 289.58 -2.00 20.00 -2.00 320.08 0.00e+00 5.023 0.002 302.00 328.00 3 2.2619e+00 1.2589e-02 6.1043e-02 -6.0000e+00 7.1623e-01 1.8611e-01 1.6298e-02 3.5000e-02 -6.0000e+00 7.7474e-01 -2.7611e-01 1.4074e-02 1.8654e-02 -6.0000e+00 4.6104e-01 1.1951e-01 6.8285e-03 7.3587e-03 -6.0000e+00 1.9291e-01 1.7911e-04 -1.4349e-03 2.0420e-04 9.3056e-05 -6.0000e+00 1.4416e-02 2.5594e-03 0.0000e+00 12 9 9 12 1 1 -17.67 22.52 0.28 0.00256 -0.00822 8 7 1 5 0 1338.320 26.21 20.02 22.52 27.13 37.8 1062.66 -193307 -166496 900000 -208394 -57027 -47404 -73561 900000 -51139 -149091 -167001 -150633 -139821 -52919 900000 19125 -76257 -55654 142244 900000 -45747 71146 11097 -44913 64241 -20932 900000 -25775 854 -63387 15200 42662 38542 -6993 18213 121512 -10419 -4208 15642 39623 -11348 17481 -12368 11233 13882 53152 -10188 28608 12653 23585 10013 6276 923 25548 25284 7065 17710 4849 17779 -1504 4269 15626 5094 -599 5467 1051 7405 831 1499 5650 77 5163 4185 -3368 4838 -3549 808 5280 1382 -3006 -1675 2217 -924 -1452 -3506 -1644 -4239 -1656 -1893 -485 -1330 -597 552 1799 131 350 -2341 -783 -1613 -2425 -487 -994 128 550 731 -2162 -654 -1697 -32 730 856 -1850 -289 -194 -59 -113 845 2161 359 75 -1342 -422 1797 2001 445 648 1012 1889 1298 -599 585 263 1312 1065 722 -466 601 50 -472 -950 -638 -589 -995 -329 -5007 -4011 900000 -8218 -514 -370 -750 900000 -509 -4033 -5624 -4760 -4742 -1003 900000 279 -3107 -2081 968 900000 -1853 976 272 -1941 1070 -814 900000 -1069 27 -3815 493 1265 1385 -423 895 2242 -674 -287 1056 2534 -1327 1723 -1701 1295 1595 4334 -1521 3066 1629 2905 1501 1073 182 4385 4650 1605 3800 1180 3829 -378 1021 3538 1393 -192 1810 376 2472 294 549 2199 35 2420 2031 -1718 2181 -1601 323 1942 544 -1362 -864 1255 -598 -1011 -2622 -1279 -3531 -1408 -1648 -416 -1114 -474 413 1304 99 290 -2220 -820 -1868 -2991 -594 -1166 138 564 753 -2370 -744 -2027 -39 966 1225 -2887 -463 -313 -94 -173 1251 3183 550 120 -2220 -696 2850 3094 680 963 1463 2666 1883 -943 992 477 2470 2081 1469 -994 1320 113 -1073 -2165 -1425 -1272 -2071 -668 SS 20240824T112456.0Z 9002.475648 228 1 50.30 2 77.80 86.13 40.93 243.48 0.00 1 0.00 1 0 25 3.301e-01 1.012e-02 9.172e-02 1.862e-03 6.279717e-01 1.012609e-03 7.207298e-03 -6.000000e+00 1.981919e-01 231.00 -2.00 3.51 -2.00 320.44 0.00e+00 2.995963e-03 4.027477e-04 6.382557e-04 -6.000000e+00 9.024225e-03 289.58 -2.00 20.00 -2.00 319.72 0.00e+00 4.590 0.002 302.00 328.00 3 1.6934e+00 3.1602e-03 5.6936e-02 -6.0000e+00 4.9465e-01 6.3747e-02 4.0287e-03 3.4303e-02 -6.0000e+00 5.3396e-01 -5.7756e-02 3.6022e-03 1.6779e-02 -6.0000e+00 3.1910e-01 1.6504e-02 1.7939e-03 6.6032e-03 -6.0000e+00 1.3462e-01 4.9369e-04 -1.1516e-03 5.4026e-05 6.5863e-05 -6.0000e+00 9.8655e-03 2.9434e-03 0.0000e+00 12 8 8 10 0 0 -34.54 22.53 0.17 0.00294 -0.00571 97 18 1 5 0 518.440 26.21 20.00 22.53 27.51 37.9 1065.06 -88895 -168306 900000 -171948 23871 -135154 -66309 48960 29534 -71889 -92715 -59016 -87497 -36544 39132 12690 -61476 -38569 48059 58046 -33617 2326 -8022 -37709 -11661 -23670 98188 -25820 -6986 -39455 3640 -4133 3973 -8377 1215 25910 -8925 -1786 2949 10389 -7283 5212 -10722 1702 -3985 14243 -3596 7740 4804 5905 3943 551 1139 6340 6614 1193 4896 639 3697 220 2125 4741 2093 31 1242 -592 2628 1808 893 2147 -490 602 364 -1476 1129 -800 1310 1205 1776 -1312 -962 -83 -1462 -1348 -1822 -1054 -1793 -593 -1738 -296 -370 224 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