File name: Pandora55s1_QueensNY_20240923_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240924T045545.6Z 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_20240923_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: 20240923 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 20240923T112800.4Z 9032.477782 241 1 50.01 2 82.59 96.93 27.24 249.07 0.00 1 0.00 1 0 25 6.718e-01 3.418e-02 2.114e-01 6.459e-03 8.292497e-01 3.832194e-03 9.384691e-03 -6.000000e+00 4.150786e-01 228.28 -2.00 3.51 -2.00 321.81 0.00e+00 9.274166e-03 2.180511e-03 1.845801e-03 -6.000000e+00 2.018638e-02 286.90 -2.00 20.00 -2.00 321.29 0.00e+00 7.170 0.007 302.00 328.00 3 1.0160e+00 1.4584e-02 8.6609e-02 -6.0000e+00 1.0388e+00 8.8879e-01 1.8868e-02 5.5602e-02 -6.0000e+00 1.1322e+00 -1.2108e+00 1.4942e-02 2.2550e-02 -6.0000e+00 6.6446e-01 4.9241e-01 6.9705e-03 1.4037e-02 -6.0000e+00 2.7617e-01 6.2828e-05 -2.8124e-03 1.8730e-04 1.7070e-04 -6.0000e+00 2.1129e-02 2.3605e-03 0.0000e+00 12 8 8 10 0 0 91.48 22.51 0.31 0.00236 -0.01877 39 7 1 5 0 1282.270 26.21 19.96 22.51 21.52 37.7 1025.95 -54411 -118175 900000 -126069 261123 900000 -38841 900000 900000 900000 -149268 -53345 -108543 135787 900000 50943 -49101 -88550 900000 900000 15222 105522 900000 -82318 60122 16195 900000 35239 -22243 -41245 67020 900000 24585 98264 59084 900000 9952 6766 268438 900000 31139 135212 22254 48009 107450 900000 27939 217467 203495 129402 37917 62073 12007 214150 144972 85063 99238 72637 101817 25150 7541 85722 33172 2360 63409 -2997 63313 2964 23190 24105 20465 20725 24869 957 33426 8694 23536 34031 -2670 2146 -9504 18860 -541 7651 -6509 2685 -8786 -3248 -6810 -1901 -40 -4569 2494 -1291 -1173 -3805 -7388 -4256 -3102 -2734 -1473 -3202 -426 4172 -341 -1623 -3403 -2641 -2652 3282 -632 -4655 -281 -812 -1315 -735 716 2499 410 -31 -2067 972 3088 5473 855 1850 -332 1968 514 -520 1245 2668 1888 1741 1013 -451 229 -98 -350 -1318 -994 -625 -200 -1541 -1162 -5320 900000 -6144 1641 900000 -616 900000 900000 900000 -6901 -1053 -4242 853 900000 830 -2325 -6547 900000 900000 449 1260 900000 -5528 1069 438 900000 752 -793 -1805 1189 900000 915 1988 1741 900000 437 330 1686 900000 1781 3139 1550 2698 3464 900000 1927 2555 2848 3879 2880 4141 1394 4042 5598 5945 6204 5780 6011 2918 1012 5787 4013 428 7218 -664 7609 628 4282 4889 4769 5196 6120 285 6898 2052 4402 5546 -642 562 -3276 5822 -226 3227 -3319 1334 -5079 -1865 -4127 -1095 -22 -2482 1211 -643 -615 -2308 -5369 -3481 -2839 -2709 -1467 -3088 -367 3210 -270 -1359 -3055 -2490 -2683 3476 -774 -6503 -405 -1208 -1946 -1056 997 3455 597 -47 -3298 1506 4546 7660 1210 2540 -453 2596 714 -803 2130 4940 3765 3655 2256 -1070 564 -247 -888 -3372 -2471 -1482 -447 -3373 SS 20240923T113915.8Z 9032.485599 244 1 50.36 2 80.48 98.81 29.20 252.16 0.00 1 0.00 1 0 25 5.177e-01 1.786e-02 1.259e-01 2.869e-03 7.025968e-01 1.599607e-03 8.063802e-03 -6.000000e+00 3.123070e-01 228.28 -2.00 3.51 -2.00 321.07 0.00e+00 7.343311e-03 7.663349e-04 5.508450e-04 -6.000000e+00 1.452531e-02 286.89 -2.00 20.00 -2.00 320.46 0.00e+00 5.758 0.003 302.00 328.00 3 1.2580e+00 5.4188e-03 6.8443e-02 -6.0000e+00 7.7598e-01 2.2661e-01 7.2080e-03 3.8403e-02 -6.0000e+00 8.4173e-01 -3.0037e-01 6.6319e-03 2.0575e-02 -6.0000e+00 5.0116e-01 1.2184e-01 3.1642e-03 1.0456e-02 -6.0000e+00 2.0985e-01 2.3390e-04 -1.8083e-03 8.3603e-05 1.1916e-04 -6.0000e+00 1.5800e-02 2.4418e-03 0.0000e+00 12 9 8 11 8 0 99.22 22.51 0.17 0.00244 -0.01115 74 14 1 5 0 680.290 26.21 20.01 22.51 22.23 37.5 1028.74 -197430 -214767 900000 -244198 -136969 45294 -126814 900000 -86452 -105567 -189869 -127046 -155715 -33000 900000 25887 -104651 -40602 900000 140532 -53492 2713 13242 -69075 8769 -36072 900000 -29363 -22567 -61247 1043 9108 18669 208 1012 138939 -18574 -8943 18589 41498 -5975 22490 -11005 7422 8374 37794 898 32956 20572 15768 14714 6332 396 23657 20300 9008 16527 6583 10061 4375 -814 15340 5006 244 7595 472 11172 3047 3394 4221 2960 3730 3369 -1797 4799 -1299 3317 5185 745 -1800 -3199 2735 -1990 -845 -3241 -1405 -3929 -1977 -2694 -634 -1347 -762 364 688 -62 9 -883 -411 -849 -968 -629 -1079 448 732 -125 -1310 -1631 -1547 -772 699 -162 -927 -750 98 -463 639 908 1397 560 -303 -780 -27 985 1191 652 719 533 1554 1352 -22 809 752 868 677 502 -529 -268 279 -551 -954 -470 -320 -223 -263 -3333 -5159 900000 -8670 -1721 127 -1395 900000 -769 -1206 -5013 -2065 -3986 -348 900000 247 -3895 -939 900000 694 -1676 51 230 -2661 175 -1142 900000 -897 -648 -2629 29 279 619 9 45 1713 -1001 -492 937 2003 -509 1623 -1151 685 789 2790 95 2709 1976 1685 1719 884 64 3394 3225 1660 2947 1300 1911 858 -168 2879 1141 65 2090 145 3105 914 1066 1452 1150 1551 1446 -792 1893 -501 1127 1669 259 -718 -1501 1396 -1180 -535 -2218 -999 -3002 -1550 -2166 -500 -1037 -557 251 465 -44 7 -783 -409 -939 -1143 -745 -1226 467 718 -123 -1361 -1786 -1773 -929 896 -228 -1413 -1194 157 -731 970 1342 2070 859 -486 -1289 -44 1567 1842 989 1065 772 2194 1967 -35 1391 1389 1683 1364 1059 -1169 -612 648 -1299 -2256 -1089 -714 -477 -550 SS 20240923T115727.9Z 9032.498240 255 1 50.48 2 77.09 101.91 32.42 256.58 0.00 1 0.00 1 0 25 2.407e-01 7.990e-03 7.199e-02 1.527e-03 5.543679e-01 8.108326e-04 6.460048e-03 -6.000000e+00 1.430925e-01 228.27 -2.00 3.51 -2.00 320.04 0.00e+00 2.356090e-03 2.800275e-04 7.053013e-04 -6.000000e+00 6.429530e-03 286.89 -2.00 20.00 -2.00 319.33 0.00e+00 4.358 0.001 302.00 328.00 3 1.6650e+00 2.4078e-03 5.2434e-02 -6.0000e+00 3.5510e-01 3.7167e-02 2.9553e-03 3.0026e-02 -6.0000e+00 3.8428e-01 -3.2266e-02 2.5175e-03 1.4486e-02 -6.0000e+00 2.2965e-01 6.7002e-03 1.2840e-03 5.1842e-03 -6.0000e+00 9.6843e-02 7.0271e-04 -1.2206e-03 4.5359e-05 5.4586e-05 -6.0000e+00 7.1839e-03 2.3704e-03 0.0000e+00 11 8 0 10 0 0 99.96 22.50 0.18 0.00237 -0.00680 126 24 1 5 0 400.580 26.21 20.02 22.50 22.52 37.6 1030.06 -91716 -87986 146556 -100976 -49318 -47148 -58851 51671 -36230 -54259 -72333 -53190 -49230 -27708 24999 -13862 -27425 -14209 19470 15352 -21619 261 -1619 -20094 -9026 -11677 27270 -10463 -9825 -19834 2117 -723 1222 -6670 -2853 11585 -3507 -4343 3177 1700 -3231 1050 -4138 -696 -876 5120 -2293 3084 2220 3711 340 1728 -86 3822 3833 1147 3009 731 2097 -522 358 2659 2016 -177 1113 -352 2399 672 1489 1418 -79 582 -592 -1118 218 -372 771 1564 823 -502 -696 90 -1339 -1303 -1260 -1112 -1512 -656 -765 -656 -92 354 711 1590 965 921 578 709 -258 -640 -340 -658 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