File name: Pandora55s1_QueensNY_20230811_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230812T061014.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230811_L1_smca1c17d20220526p1-8.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: 20230811 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20230811T104611.4Z 8623.448743 210 1 50.58 2 82.77 76.06 32.57 103.10 0.00 1 0.00 1 0 17 9.443e-01 4.435e-02 2.618e-01 9.347e-03 8.853292e-01 5.814251e-03 9.920728e-03 -6.000000e+00 6.048295e-01 231.95 -2.00 3.51 -2.00 321.92 0.00e+00 1.519431e-03 2.984545e-03 3.371081e-03 -6.000000e+00 3.089156e-02 290.20 -2.00 20.00 -2.00 321.38 0.00e+00 7.310 0.007 302.00 328.00 3 1.1879e+00 2.1583e-02 9.0294e-02 -6.0000e+00 1.5203e+00 1.3871e+00 2.6442e-02 5.8843e-02 -6.0000e+00 1.6533e+00 -1.8187e+00 1.6656e-02 2.3366e-02 -6.0000e+00 9.6843e-01 7.1591e-01 8.3223e-03 1.0408e-02 -6.0000e+00 4.0453e-01 3.9464e-05 -1.8938e-03 2.7645e-04 1.1182e-04 -6.0000e+00 3.0718e-02 7.5144e-03 0.0000e+00 12 9 8 11 36 0 48.80 19.76 0.68 0.00751 -0.00672 26 5 1 5 0 1945.100 26.00 19.97 19.76 26.33 35.9 1062.87 17812 900000 -24814 900000 900000 141770 900000 900000 31869 -53132 -28827 -32002 900000 900000 900000 -19373 -52429 900000 900000 900000 900000 900000 -43747 170793 93069 900000 77785 11423 -36945 16284 234275 102158 12071 447522 900000 24091 22325 204929 900000 49825 900000 25148 123678 79018 900000 27268 900000 277477 342017 74219 49740 10008 900000 900000 99033 900000 143539 186938 68734 102486 514440 57587 -5959 121886 -22176 99193 19198 31145 50308 9166 52395 73593 325 88464 8256 34264 65966 3484 -17730 -11660 39971 12947 16366 -11107 5674 -8962 1342 -9456 2348 -1869 -5428 3041 4477 -3260 2511 -12712 -6347 -358 -1926 -1943 -2967 -460 3973 3569 -1652 -2684 -5367 -2821 7630 -1106 -7752 292 -690 -2911 -1201 -996 4866 -664 -267 -3427 788 4786 10397 256 -53 593 1377 74 -2884 1719 2692 2854 1441 1760 -1104 1081 287 383 -1862 -1539 -1296 7 -998 1111 900000 -2084 900000 900000 1566 900000 900000 1018 -3750 -1634 -2070 900000 900000 900000 -1871 -7170 900000 900000 900000 900000 900000 -4479 2252 2607 900000 2250 578 -2877 822 2125 2949 881 4060 900000 1389 1383 2474 900000 3447 900000 2376 4534 4322 900000 2315 900000 2517 3103 4551 4187 1331 900000 900000 6601 900000 6328 5224 5622 5828 4667 5459 -1145 7732 -5700 8121 3354 5095 7592 2259 9256 10844 92 10149 1812 5299 7213 715 -4998 -3674 9059 4283 5742 -5339 2467 -4678 663 -5246 1160 -925 -2630 1299 1870 -1548 1282 -8663 -4743 -288 -1714 -1766 -2591 -360 2756 2450 -1242 -2153 -4675 -2588 7039 -1242 -10306 391 -963 -4122 -1642 -1330 6239 -926 -389 -5260 1160 6590 13175 344 -69 758 1723 97 -4337 2812 4835 5528 2985 3862 -2619 2636 719 966 -4784 -3838 -3072 15 -2131 SS 20230811T105725.7Z 8623.456548 213 1 50.28 2 80.69 77.82 30.54 105.70 0.00 1 0.00 1 0 25 5.836e-01 2.130e-02 1.582e-01 3.159e-03 7.702497e-01 1.827949e-03 8.948118e-03 -6.000000e+00 3.609427e-01 231.94 -2.00 3.51 -2.00 321.32 0.00e+00 6.887620e-03 9.636164e-04 3.147200e-03 -6.000000e+00 1.726174e-02 290.20 -2.00 20.00 -2.00 320.71 0.00e+00 5.872 0.004 302.00 328.00 3 1.0552e+00 6.5939e-03 7.2492e-02 -6.0000e+00 9.0638e-01 3.2234e-01 9.0718e-03 4.3526e-02 -6.0000e+00 9.8331e-01 -4.3633e-01 8.2759e-03 2.4665e-02 -6.0000e+00 5.8159e-01 1.8048e-01 3.8462e-03 9.4054e-03 -6.0000e+00 2.4277e-01 2.3340e-04 -6.7282e-04 9.0505e-05 1.5064e-04 -6.0000e+00 1.8233e-02 8.2163e-03 0.0000e+00 12 9 8 11 4 0 79.19 19.78 0.38 0.00822 0.00316 78 15 1 5 0 644.490 26.00 19.97 19.78 27.00 35.8 1066.28 -233886 900000 -259964 900000 -124513 -180530 900000 -17304 -117892 -219019 -157607 -172833 -203209 900000 46160 -131984 -26535 900000 900000 193200 7361 91977 -58665 39059 -47423 900000 -40546 44096 -81403 9907 17780 25754 -26925 16740 900000 -5143 2091 25317 78101 -2130 47431 -3884 16842 11273 44598 2225 38501 30298 33444 23130 3941 9580 39188 35903 16841 25660 15342 20269 11800 11181 24383 8578 2899 11653 204 15395 2688 4774 7180 2004 5779 8045 -1406 8253 -416 6063 6086 1926 -6075 -3305 3771 -299 -143 -3805 -1386 -4380 -1264 -3368 -964 -1371 -192 -297 44 -1461 -1195 -2338 -1510 -1142 -1558 -886 -1573 102 430 463 -1379 -1624 -1980 -704 896 -206 -1280 -345 -152 -500 511 834 1682 548 -222 -675 229 1374 1787 531 325 701 1601 1369 -221 977 867 984 569 489 -283 -44 296 -305 -1028 -872 -340 -275 -431 -5264 900000 -8453 900000 -989 -2485 900000 -58 -1126 -5838 -2590 -4007 -8136 900000 271 -5026 -417 900000 900000 594 102 565 -1605 446 -1303 900000 -1068 516 -3304 194 394 633 -1215 517 900000 -197 83 957 2139 -142 2196 -310 1156 833 2480 188 2416 2157 2472 2051 463 1193 4057 4126 2421 3532 2357 2949 1815 1726 3499 1572 632 2601 53 3514 695 1277 2085 682 2060 2884 -540 2742 -138 1733 1678 576 -2201 -1369 1693 -156 -81 -2367 -893 -3042 -893 -2472 -690 -957 -126 -186 27 -955 -867 -1955 -1424 -1196 -1757 -1002 -1710 101 400 428 -1352 -1674 -2147 -803 1093 -279 -1894 -535 -239 -777 766 1221 2452 832 -353 -1101 370 2141 2697 790 472 990 2208 1952 -348 1675 1603 1920 1163 1047 -635 -103 702 -732 -2477 -2051 -769 -593 -907 SS 20230811T110733.9Z 8623.463587 218 1 50.40 2 78.81 79.41 28.74 108.25 0.00 1 0.00 1 0 25 4.721e-01 9.658e-03 1.155e-01 1.619e-03 6.733242e-01 8.955950e-04 7.617407e-03 -6.000000e+00 2.849959e-01 231.94 -2.00 3.51 -2.00 320.67 0.00e+00 3.415616e-03 3.876601e-04 3.703388e-04 -6.000000e+00 1.299461e-02 290.20 -2.00 20.00 -2.00 319.98 0.00e+00 4.971 0.002 302.00 328.00 3 8.6510e-01 2.8970e-03 6.1363e-02 -6.0000e+00 7.1280e-01 7.4866e-02 3.8122e-03 3.6411e-02 -6.0000e+00 7.6881e-01 -6.5728e-02 3.5349e-03 1.8759e-02 -6.0000e+00 4.5886e-01 1.7732e-02 1.7263e-03 7.6933e-03 -6.0000e+00 1.9489e-01 7.5473e-04 -8.9561e-05 4.6556e-05 8.0678e-05 -6.0000e+00 1.4203e-02 7.7656e-03 0.0000e+00 12 9 8 11 4 0 36.51 19.78 0.26 0.00777 0.00709 156 29 1 5 0 323.020 26.00 20.03 19.78 27.66 36.0 1069.63 -144447 900000 -180830 -122279 -125504 -99758 12792 -29151 -142454 -126089 -145295 -79897 -151865 317786 -25060 -57337 -32367 61945 40685 -5299 6293 -22213 -34913 -29484 -9114 34838 -12684 -28104 -29399 -10341 -8033 1193 -21416 2511 8124 212 -17372 9667 4803 -3352 740 -4416 741 -2151 7918 -3979 8023 1530 11058 -931 1722 -71 8151 5754 2739 4756 1492 4644 -383 3643 3696 3927 -191 3209 -1092 3999 797 2250 2252 -733 1613 -90 -181 26 -92 -425 2097 54 -1601 -437 321 -1045 -1436 -1782 -1828 -1263 -994 -943 -313 51 311 450 1649 730 1206 174 655 -602 -455 -543 -181 262 853 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