File name: Pandora55s1_QueensNY_20230914_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T122319.2Z 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_20230914_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: 20230914 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 20230914T111951.9Z 8657.472128 63 1 50.58 2 82.31 92.13 75.95 90.83 0.00 1 0.00 1 0 25 6.247e-01 2.904e-02 2.376e-01 5.156e-03 8.091683e-01 3.023463e-03 9.088154e-03 -6.000000e+00 3.847157e-01 229.34 -2.00 3.51 -2.00 321.71 0.00e+00 3.922323e-03 1.748766e-03 1.006054e-03 -6.000000e+00 1.838762e-02 288.06 -2.00 20.00 -2.00 321.17 0.00e+00 6.942 0.006 302.00 328.00 3 8.8988e-01 1.1645e-02 8.2393e-02 -6.0000e+00 9.6315e-01 6.2271e-01 1.6032e-02 4.7363e-02 -6.0000e+00 1.0489e+00 -8.9677e-01 1.3808e-02 2.2907e-02 -6.0000e+00 6.1704e-01 3.7759e-01 6.2422e-03 9.6149e-03 -6.0000e+00 2.5444e-01 9.6354e-05 -2.4233e-03 1.4987e-04 1.2181e-04 -6.0000e+00 1.9355e-02 2.1245e-03 0.0000e+00 12 8 8 10 0 0 73.37 19.21 0.30 0.00212 -0.01608 63 12 1 5 0 802.780 25.90 20.02 19.21 24.41 36.2 1041.25 -139975 -135182 900000 -164544 126396 900000 -1779 900000 900000 71285 -174069 -48789 -134727 -193918 900000 76134 -73791 -6550 900000 900000 900000 63061 86068 -92151 50167 15902 900000 10441 24459 -68009 54841 275460 36307 -5446 92395 900000 11778 17963 122699 261950 19758 104149 17131 33490 38884 186945 9809 65896 93883 73860 25111 28793 13936 113047 70972 51270 59609 41059 52981 25435 26632 61857 24445 729 37670 -6351 30569 1965 11343 15376 2078 17633 20440 533 23372 5119 12170 22941 932 -4888 -8366 10307 1073 2098 -5815 299 -6355 -670 -4384 -2007 -2775 -3167 -122 568 -1583 -1249 -4506 -3868 -2175 -2410 -2566 -2333 -98 1863 484 -2295 -1299 -2148 -1531 1424 -479 -2533 -979 -814 -678 548 495 2331 789 -414 -1000 -2 2111 3380 1217 1146 504 1935 849 -675 1067 1684 1469 1442 865 -440 120 68 -128 -1246 -963 -712 -171 -982 -2933 -3156 900000 -5271 634 900000 -10 900000 900000 358 -6120 -562 -4151 -12904 900000 586 -2704 -139 900000 900000 900000 749 808 -4827 725 331 900000 223 444 -3024 858 1383 949 -231 1588 900000 420 666 1981 1315 1130 2952 1146 1978 2200 2638 736 3018 3451 3481 2011 2467 1510 5336 5290 4810 5359 4410 5002 2998 3060 5325 3266 137 5564 -1475 5076 428 2398 3482 594 4735 5491 168 5591 1325 2697 4438 231 -1446 -3015 3635 466 987 -3128 161 -3832 -400 -2770 -1233 -1661 -1816 -65 297 -892 -788 -3379 -3320 -2070 -2482 -2679 -2319 -88 1535 401 -2038 -1208 -2122 -1610 1604 -609 -3602 -1467 -1247 -1027 799 707 3299 1171 -648 -1616 -3 3206 4924 1761 1618 698 2610 1198 -1062 1846 3165 2950 3038 1930 -1040 295 170 -325 -3177 -2393 -1691 -384 -2148 SS 20230914T113833.4Z 8657.485109 68 1 50.40 2 78.78 95.22 72.54 93.89 0.00 1 0.00 1 0 25 2.708e-01 7.559e-03 4.543e-02 1.293e-03 6.200046e-01 6.989778e-04 7.141271e-03 -6.000000e+00 1.616082e-01 229.34 -2.00 3.51 -2.00 320.42 0.00e+00 2.921974e-03 2.764077e-04 1.038186e-03 -6.000000e+00 7.355417e-03 288.06 -2.00 20.00 -2.00 319.72 0.00e+00 4.958 0.002 302.00 328.00 3 6.8594e-01 2.1670e-03 5.9671e-02 -6.0000e+00 4.0193e-01 5.9362e-02 2.7656e-03 3.4527e-02 -6.0000e+00 4.3451e-01 -4.4417e-02 2.5077e-03 1.6509e-02 -6.0000e+00 2.5979e-01 8.1386e-03 1.2498e-03 6.7204e-03 -6.0000e+00 1.0981e-01 9.8106e-04 -9.8837e-04 3.7635e-05 6.4106e-05 -6.0000e+00 8.0888e-03 2.3257e-03 0.0000e+00 11 8 0 10 0 0 99.74 19.22 0.23 0.00233 -0.00510 198 37 1 5 0 254.500 26.00 19.97 19.22 25.04 36.1 1043.32 -137052 -110961 900000 -122424 -70368 -42321 -78246 -178 -47866 -79109 -88248 -72204 -73806 -88935 21290 -16256 -38085 -11420 19132 14881 2972 -6485 -18576 -21454 -14795 -17433 14323 -16242 -10092 -20919 -4500 76 3108 -14659 -221 8372 -4682 -5441 1119 2503 -4556 1062 -4568 -745 -502 3648 -2059 3905 1208 4296 461 1766 790 4712 3895 2040 1732 341 1890 368 1293 3388 1853 514 1368 -212 2543 954 1594 1796 37 316 -123 -708 -53 -203 744 1016 929 -807 -427 -140 -1495 -1716 -1742 -1105 -1265 -928 -800 -339 44 705 680 1614 1128 1087 534 662 -415 -363 -223 -445 328 932 21 -1225 -644 -857 -154 105 32 -581 -166 -8 -47 604 896 1128 373 -342 -893 -462 -57 -281 -68 -102 426 1476 896 85 463 46 390 173 296 -393 -177 136 -375 -448 -311 -174 104 311 -1604 -1219 900000 -1720 -607 -267 -736 -1 -427 -990 -1303 -1008 -1263 -2258 246 -310 -1053 -271 369 322 76 -187 -622 -790 -557 -725 450 -693 -403 -962 -197 4 165 -1037 -14 480 -318 -426 100 266 -566 139 -676 -111 -76 546 -335 615 203 740 90 377 178 1120 1005 567 503 102 555 108 377 1022 630 188 545 -89 1021 387 674 847 19 176 -71 -405 -29 -105 349 451 425 -422 -247 -94 -1088 -1364 -1409 -948 -1156 -847 -747 -313 40 610 552 1319 960 980 532 723 -494 -466 -286 -537 373 1030 23 -1412 -783 -1059 -202 144 46 -902 -270 -13 -75 932 1327 1668 579 -543 -1482 -764 -91 -450 -106 -152 632 2109 1328 135 787 83 722 337 590 -814 -385 295 -830 -992 -690 -366 213 616 SS 20230914T114823.7Z 8657.491941 74 1 9.47 2 76.93 96.87 70.75 95.54 0.00 1 0.00 1 0 25 3.216e-01 9.844e-03 1.189e-01 4.119e-03 5.465304e-01 2.198401e-03 6.347676e-03 -6.000000e+00 1.919432e-01 229.34 -2.00 3.51 -2.00 319.95 0.00e+00 1.626779e-03 7.362978e-04 3.121475e-04 -6.000000e+00 8.736468e-03 288.06 -2.00 20.00 -2.00 319.21 0.00e+00 4.305 0.001 302.00 328.00 3 1.9550e+00 6.4962e-03 5.1683e-02 -6.0000e+00 4.7737e-01 6.3105e-02 7.9278e-03 2.9016e-02 -6.0000e+00 5.1608e-01 -4.2983e-02 6.5955e-03 1.4234e-02 -6.0000e+00 3.0855e-01 9.5618e-03 3.3719e-03 4.4298e-03 -6.0000e+00 1.3042e-01 5.4947e-04 -1.2835e-03 1.2302e-04 5.1374e-05 -6.0000e+00 9.6077e-03 2.5876e-03 0.0000e+00 12 9 9 12 1 1 99.90 19.21 0.32 0.00259 -0.00706 16 17 1 5 0 556.020 26.00 20.02 19.21 25.02 36.0 1043.62 -41160 -103408 900000 -111530 -31326 -56164 -72339 284189 2139 -21775 -72439 -36391 -71097 -63286 8818 31952 -34881 13663 41971 28019 8841 -2609 -8929 -27890 1151 -19898 44243 -6854 -2732 -18459 -5949 3669 -1677 -11481 -1235 13413 -8841 -3825 4659 4660 -3965 -2822 -5210 2034 -2386 6638 -5005 4299 2731 4431 1069 2376 -991 4630 6541 1775 2449 1105 503 2049 3060 3628 3198 -1230 975 -1571 2819 1532 1637 1187 -872 -9 520 -1085 1629 -679 1232 2063 1680 -1452 -1520 1255 -1259 -1319 -2601 -233 -1352 -1546 -1206 -674 -1188 129 861 1053 1395 910 -302 674 -264 -461 -79 -721 61 572 138 -996 -682 -863 -16 891 132 -589 -162 315 -109 309 795 1238 -158 -129 -950 -448 446 175 223 269 152 932 1014 180 522 -19 14 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