File name: Pandora55s1_QueensNY_20231106_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T124115.2Z 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_20231106_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: 20231106 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 20231106T124544.3Z 8710.531763 295 1 51.01 2 78.29 123.36 26.69 208.24 0.00 1 0.00 1 0 25 4.243e-01 2.069e-02 1.640e-01 3.760e-03 5.628932e-01 2.038690e-03 6.558249e-03 -6.000000e+00 2.544195e-01 224.05 -2.00 3.51 -2.00 320.37 0.00e+00 4.456029e-03 7.733143e-04 3.570876e-04 -6.000000e+00 1.181994e-02 281.65 -2.00 20.00 -2.00 319.77 0.00e+00 4.771 0.002 302.00 328.00 3 2.9584e+00 6.1839e-03 5.5635e-02 -6.0000e+00 6.2911e-01 1.0798e-01 7.7489e-03 2.9982e-02 -6.0000e+00 6.8704e-01 -1.3669e-01 6.8582e-03 1.5382e-02 -6.0000e+00 4.0860e-01 6.0983e-02 3.4264e-03 6.5653e-03 -6.0000e+00 1.7017e-01 1.2866e-04 -1.6450e-03 1.1636e-04 7.1225e-05 -6.0000e+00 1.2992e-02 1.5541e-03 0.0000e+00 12 9 8 11 32 0 99.05 22.81 0.31 0.00155 -0.01081 26 5 1 5 0 1961.790 26.11 19.94 22.81 13.69 35.3 982.02 -122333 -153380 900000 -169494 -4046 122619 -20845 900000 96008 -69152 -115668 -55506 -119386 900000 900000 14101 -84633 900000 900000 900000 237255 27813 33922 -72090 13049 -27493 900000 -10490 -15915 -28032 8629 16660 6488 -3376 8190 157279 -3325 -13891 18591 37693 -10486 19945 -12872 -3323 2194 31580 -5664 28490 15419 13802 4261 76 12394 21745 18796 3584 15170 3491 10969 2290 3868 9760 -394 -5613 5799 -3944 7919 -1131 1338 2409 -2765 1612 4192 -3166 5590 -1376 2784 5486 -189 -2328 -3651 2683 -1811 -520 -4171 -1558 -4295 -1425 -3295 -55 -1840 -1065 581 1469 992 217 -2122 -1159 -501 -582 37 -495 901 -1361 1351 -590 -320 -1516 -263 2308 512 -1021 -188 -206 -680 350 738 1727 334 291 -1254 -125 1226 295 579 -42 653 1418 974 -517 1072 1291 946 779 571 -555 175 219 -619 -1357 -808 -472 197 -296 -2496 -4967 900000 -7050 -34 449 -198 900000 361 -1356 -3685 -1088 -4952 900000 900000 309 -5287 900000 900000 900000 934 811 946 -5618 492 -1592 900000 -531 -837 -1682 404 840 415 -259 580 2737 -264 -1355 1586 3193 -1579 2487 -2298 -566 363 4073 -1043 3918 2459 2335 837 17 2703 4692 4444 1016 4014 1036 3034 674 1127 2821 -136 -2254 2275 -1732 3070 -469 561 1095 -1457 877 2298 -1828 2858 -695 1249 2289 -84 -1162 -2102 1654 -1276 -389 -3381 -1304 -3858 -1304 -3122 -51 -1670 -917 467 1137 787 188 -2079 -1251 -589 -722 46 -589 991 -1453 1420 -657 -373 -1861 -335 3074 741 -1588 -301 -329 -1065 525 1070 2487 499 452 -2033 -202 1926 456 874 -62 932 1969 1384 -791 1750 2232 1711 1453 1105 -1127 367 467 -1342 -2960 -1728 -977 390 -579 SS 20231106T125057.5Z 8710.535388 298 1 50.47 2 77.47 124.33 27.19 210.73 0.00 1 0.00 1 0 25 1.712e-01 6.563e-03 3.169e-02 1.088e-03 5.522757e-01 5.694911e-04 6.461809e-03 -6.000000e+00 1.001619e-01 224.05 -2.00 3.51 -2.00 320.09 0.00e+00 1.415359e-03 1.993065e-04 8.653830e-04 -6.000000e+00 4.472999e-03 281.65 -2.00 20.00 -2.00 319.48 0.00e+00 4.481 0.002 302.00 328.00 3 8.9128e-01 1.6826e-03 5.2977e-02 -6.0000e+00 2.4660e-01 1.7676e-02 2.0747e-03 2.9474e-02 -6.0000e+00 2.6790e-01 -5.9119e-04 1.8487e-03 1.4459e-02 -6.0000e+00 1.6011e-01 -8.6399e-03 9.4390e-04 4.6077e-03 -6.0000e+00 6.7757e-02 1.3858e-03 -9.6258e-04 3.2471e-05 5.4405e-05 -6.0000e+00 5.1014e-03 1.0041e-03 0.0000e+00 11 8 0 10 0 0 99.86 22.81 0.20 0.00100 -0.00623 325 61 1 5 0 155.250 26.11 20.01 22.81 13.72 35.3 982.76 -79341 -67148 42478 -72082 -56296 -37922 -70132 -5264 -33211 -40211 -59800 -37930 -39232 -48527 -305 -15971 -13645 -2301 7565 -2262 2371 -5414 3409 -12205 -2464 -5493 7836 -4337 -9426 -6954 -4754 1090 -1937 -2583 -3747 6092 -1068 -2460 1446 269 -2613 -919 -2863 -1981 -667 1171 -1001 927 836 2099 1236 1152 114 2470 1534 1303 1256 47 1039 755 1334 1834 1958 485 716 139 1711 634 1972 1058 19 -39 -299 -643 -21 -198 295 1477 1084 454 -58 75 -1448 -1282 -1575 -1333 -1365 -682 -612 -439 59 445 871 1455 1641 1118 660 674 -246 -449 -314 -407 -58 846 -167 -1019 -695 -874 -246 96 50 -415 -158 -76 7 636 1012 943 417 -391 -821 -444 -208 -304 0 -9 371 1318 914 212 436 113 412 192 286 -493 -221 61 -386 -527 -133 -61 96 199 -1003 -903 210 -1141 -727 -392 -1042 -46 -441 -633 -1133 -684 -781 -1323 -6 -472 -452 -76 245 -86 91 -229 136 -607 -122 -301 390 -243 -546 -400 -293 69 -146 -217 -327 475 -93 -247 169 36 -416 -159 -540 -386 -131 230 -204 189 176 455 291 299 31 716 481 431 433 17 364 260 459 660 776 205 329 66 780 288 919 552 11 -24 -189 -403 -13 -114 153 714 536 251 -37 53 -1098 -1055 -1385 -1185 -1291 -673 -618 -440 57 419 764 1219 1409 1063 683 758 -299 -584 -409 -498 -67 916 -184 -1205 -869 -1104 -329 133 77 -662 -263 -126 12 991 1506 1402 648 -619 -1362 -738 -336 -474 1 -13 537 1914 1308 335 730 199 763 358 564 -1001 -455 128 -834 -1140 -281 -126 189 394 SS 20231106T125639.9Z 8710.539351 301 1 50.44 2 76.58 125.40 27.77 213.36 0.00 1 0.00 1 0 25 1.011e-01 6.140e-03 1.333e-02 6.886e-04 5.220552e-01 3.581186e-04 6.151848e-03 -6.000000e+00 5.915102e-02 224.05 -2.00 3.51 -2.00 319.65 0.00e+00 1.223427e-03 1.089702e-04 6.581273e-04 -6.000000e+00 2.641366e-03 281.65 -2.00 20.00 -2.00 319.01 0.00e+00 4.205 0.001 302.00 328.00 3 3.8201e-01 1.0194e-03 4.9698e-02 -6.0000e+00 1.4563e-01 2.3728e-02 1.2191e-03 2.7449e-02 -6.0000e+00 1.5820e-01 -1.3918e-02 1.0169e-03 1.3481e-02 -6.0000e+00 9.4550e-02 -2.2945e-03 5.2943e-04 4.1983e-03 -6.0000e+00 4.0018e-02 3.0938e-03 -8.3149e-04 2.0530e-05 4.9949e-05 -6.0000e+00 3.0123e-03 3.3283e-04 0.0000e+00 10 0 0 10 0 0 72.75 22.81 0.19 0.00033 -0.00592 471 89 1 5 0 107.080 26.11 20.00 22.81 14.12 35.4 985.12 -50858 -38211 2502 -45164 -27218 -43462 -25418 -28315 -18295 -30148 -28052 -23174 -19868 -21071 -6265 -2874 -8807 -4247 -1379 1565 -3784 -150 -3252 -5867 -4085 -3167 3141 -5475 -1937 -6763 718 -715 1708 -3206 -1160 1184 -1680 -1368 40 92 -2222 -568 -2196 -666 -1109 809 -1165 523 168 1161 1257 781 1705 1788 1898 561 1335 -145 1067 411 1224 1661 1653 949 117 549 777 733 1327 1195 -43 -6 -762 -610 -676 -184 319 651 1246 -215 19 -729 -1305 -1355 -1358 -1188 -934 -555 -477 -242 41 646 850 1401 1316 1217 869 808 -250 -450 -337 -542 33 763 -172 -1123 -469 -856 -185 -104 -73 -322 -173 108 121 672 853 809 355 -304 -782 -549 -303 -333 86 24 393 1268 1038 247 513 64 368 120 191 -322 -200 169 -454 -468 -226 -80 -9 241 -764 -602 29 -844 -404 -727 -368 -474 -316 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