File name: Pandora55s1_QueensNY_20241209_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241210T045259.7Z 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 v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241209_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: 20241209 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 20241209T131637.6Z 9109.553213 87 1 50.56 2 80.33 131.88 134.75 34.74 0.00 1 0.00 1 0 25 4.945e-01 1.427e-02 1.256e-01 2.743e-03 6.561752e-01 1.491313e-03 7.509143e-03 -6.000000e+00 2.924892e-01 222.90 -2.00 3.51 -2.00 320.92 0.00e+00 6.092194e-03 6.624397e-04 1.675067e-03 -6.000000e+00 1.335400e-02 277.80 -2.00 20.00 -2.00 320.42 0.00e+00 5.681 0.003 302.00 328.00 3 1.3759e+00 4.7564e-03 6.6934e-02 -6.0000e+00 7.2011e-01 1.0123e-01 6.3390e-03 3.8817e-02 -6.0000e+00 7.8524e-01 -1.3688e-01 6.3781e-03 1.8391e-02 -6.0000e+00 4.6688e-01 5.3386e-02 3.0996e-03 9.1413e-03 -6.0000e+00 1.9603e-01 2.4679e-04 -1.6659e-03 8.1564e-05 8.6491e-05 -6.0000e+00 1.5061e-02 -8.8881e-04 0.0000e+00 12 8 8 10 0 0 90.07 23.02 0.26 -0.00089 -0.01341 82 16 1 5 0 616.420 26.32 19.99 23.02 13.60 36.5 986.71 -133481 -214185 900000 -214398 -122739 100131 -185161 900000 -123817 -73832 -191582 -118968 -149698 -13890 900000 -35575 -77019 -53428 900000 129103 -46305 -6125 36285 -71968 -17352 -20976 900000 -26254 -26306 -48210 -17427 19739 -3478 3259 -5146 122032 -17838 -16020 11468 22935 -1479 13170 -10566 218 3080 22323 -1223 16668 14761 18453 2929 5235 -6198 16267 15324 7519 9662 6400 6865 2763 -2884 7856 3274 -1434 6287 -2896 5981 348 3037 3293 1933 2823 2814 -1690 4579 -494 2492 3749 -865 -1713 -2681 2807 -1767 -658 -2723 -792 -3192 -1643 -2299 -404 -767 -549 1278 452 339 161 -610 -111 -398 -577 -356 -564 -8 1207 -193 -691 -1088 -1151 -363 720 -26 -976 -369 -71 -299 199 1122 1213 378 -435 -1000 -201 326 774 197 665 237 1759 698 -81 991 673 535 755 391 -577 -273 211 -388 -661 -457 -383 168 -236 -1054 -4443 900000 -5123 -1189 268 -3166 900000 -1445 -580 -4888 -1697 -3455 -114 900000 -570 -2126 -1329 900000 666 -1323 -122 495 -2843 -442 -585 900000 -801 -805 -1891 -579 554 -143 140 -248 1781 -985 -972 640 1370 -127 1093 -1166 23 323 2027 -142 1692 1593 2039 403 782 -1135 2642 2694 1490 1953 1354 1440 593 -652 1698 814 -418 1873 -978 1856 114 1010 1209 800 1251 1286 -791 1930 -202 913 1306 -325 -719 -1312 1497 -1093 -434 -1935 -585 -2532 -1340 -1924 -332 -616 -419 912 318 248 130 -553 -113 -447 -690 -429 -651 -9 1207 -194 -732 -1214 -1340 -445 936 -37 -1498 -588 -115 -473 303 1653 1787 576 -693 -1646 -330 520 1202 300 985 343 2479 1016 -127 1689 1230 1027 1501 811 -1255 -614 482 -900 -1538 -1044 -848 355 -490 SS 20241209T132526.0Z 9109.559328 92 1 50.34 2 79.10 133.52 133.78 37.35 0.00 1 0.00 1 0 25 2.983e-01 8.526e-03 7.348e-02 1.655e-03 6.037530e-01 8.740138e-04 6.998990e-03 -6.000000e+00 1.738392e-01 222.90 -2.00 3.51 -2.00 320.47 0.00e+00 3.234816e-03 3.400162e-04 1.268318e-03 -6.000000e+00 7.764731e-03 277.80 -2.00 20.00 -2.00 319.93 0.00e+00 5.097 0.002 302.00 328.00 3 1.0769e+00 2.6514e-03 5.9818e-02 -6.0000e+00 4.2748e-01 4.2986e-02 3.3667e-03 3.3386e-02 -6.0000e+00 4.6503e-01 -5.1118e-02 3.2558e-03 1.6219e-02 -6.0000e+00 2.7770e-01 1.4409e-02 1.6340e-03 6.2194e-03 -6.0000e+00 1.1785e-01 6.1445e-04 -1.1973e-03 4.9126e-05 6.5709e-05 -6.0000e+00 8.8924e-03 -7.3051e-04 0.0000e+00 11 8 0 10 0 0 41.84 23.02 0.32 -0.00073 -0.00973 153 29 1 5 0 328.740 26.32 20.00 23.02 14.66 36.8 992.53 -130033 -118253 900000 -155420 -46534 -70794 -81542 69594 -61896 -79886 -108722 -73842 -75161 -31292 31366 -25078 -37411 -49894 32264 14531 -28994 -1958 -922 -28473 -10884 -9271 49913 -11160 -15899 -25683 -9430 -2675 -3444 -6223 -4320 20109 -5068 -7620 3630 4283 -4011 903 -6004 -2494 -1722 7951 -3001 4190 4190 5475 1731 2115 -535 7106 4743 1665 4326 1561 2480 209 -464 4234 1372 -566 2065 -24 2492 575 2117 1212 855 251 621 -1353 592 -366 888 1940 26 -1048 -551 239 -1680 -1381 -1764 -925 -1551 -780 -1149 -504 -190 151 553 1602 1185 1145 99 770 -74 -420 -192 -660 275 1099 -256 -1263 -633 -957 -163 170 98 -610 -91 283 -133 478 895 959 423 -433 -943 -744 -109 48 80 317 214 1319 973 176 536 253 456 206 334 -432 -283 78 -452 -637 -200 -6 37 208 -1487 -1463 900000 -3178 -335 -623 -826 174 -654 -1021 -1989 -1053 -1304 -487 331 -523 -1027 -1738 542 313 -1010 -53 -25 -1099 -384 -345 1067 -440 -652 -1199 -417 -131 -201 -416 -292 1052 -353 -618 293 416 -492 117 -895 -375 -264 1131 -489 652 677 921 327 442 -118 1595 1172 448 1179 446 697 59 -132 1213 449 -213 830 -9 1019 238 901 541 433 139 355 -776 314 -180 392 860 12 -514 -315 147 -1194 -1068 -1461 -763 -1369 -717 -1088 -471 -171 127 462 1279 982 992 100 834 -87 -529 -242 -788 313 1155 -274 -1446 -765 -1163 -210 239 145 -948 -148 462 -210 748 1339 1434 662 -686 -1562 -1234 -174 77 125 477 310 1937 1402 282 912 452 865 394 675 -897 -619 175 -994 -1404 -446 -12 77 419 SS 20241209T133130.3Z 9109.563545 95 1 50.52 2 78.28 134.68 133.07 39.10 0.00 1 0.00 1 0 25 3.015e-01 7.467e-03 9.262e-02 1.307e-03 5.685124e-01 6.833497e-04 6.643407e-03 -6.000000e+00 1.756655e-01 222.90 -2.00 3.51 -2.00 320.18 0.00e+00 2.052957e-03 2.419449e-04 1.085688e-03 -6.000000e+00 7.754963e-03 277.80 -2.00 20.00 -2.00 319.63 0.00e+00 4.767 0.002 302.00 328.00 3 1.0253e+00 2.0090e-03 5.5820e-02 -6.0000e+00 4.3196e-01 1.7671e-02 2.4918e-03 3.0711e-02 -6.0000e+00 4.6991e-01 -1.9850e-02 2.3144e-03 1.5034e-02 -6.0000e+00 2.8043e-01 1.0350e-03 1.1808e-03 5.0758e-03 -6.0000e+00 1.1855e-01 9.2282e-04 -1.0516e-03 3.8695e-05 5.8160e-05 -6.0000e+00 8.9809e-03 -6.7868e-04 0.0000e+00 11 8 0 10 0 0 85.52 23.02 0.18 -0.00068 -0.00858 189 36 1 5 0 267.250 26.32 20.00 23.02 15.46 36.8 996.77 -96059 -96895 244341 -103179 -38700 -81969 -65810 28857 -43936 -60140 -77515 -51785 -56949 -27168 15480 -5668 -30987 1280 13219 13871 -19989 -6399 -6870 -19667 -6311 -13424 18820 -13056 -8547 -18665 842 -2604 1934 -4944 -1325 6768 -4520 -3460 -165 3348 -2602 828 -6440 -423 -1061 2729 -2264 1678 2626 2476 1872 681 879 3947 4056 1046 2177 641 2101 -196 1321 3255 1920 283 712 -75 1295 829 1193 1509 346 299 27 -1230 289 -905 1375 998 1144 -781 -545 -24 -1502 -1276 -1418 -1030 -1398 -716 -779 -426 -280 481 905 1517 1244 1086 241 879 -232 -480 -303 -378 164 744 37 -1115 -615 -937 -141 123 65 -555 -131 47 -12 615 757 1024 443 -392 -1072 -545 -110 -93 -58 117 278 1483 1056 206 368 193 443 247 294 -328 -277 187 -456 -568 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