File name: Pandora55s1_QueensNY_20241127_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241128T045017.1Z 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_20241127_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: 20241127 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 20241127T125244.3Z 9097.536624 172 1 50.85 2 81.85 127.37 54.45 160.86 0.00 1 0.00 1 0 25 7.216e-01 3.877e-02 2.381e-01 7.339e-03 8.053894e-01 4.151283e-03 9.052273e-03 -6.000000e+00 4.313464e-01 223.08 -2.00 3.51 -2.00 321.63 0.00e+00 3.982908e-03 2.035767e-03 1.444073e-03 -6.000000e+00 2.075809e-02 279.12 -2.00 20.00 -2.00 321.14 0.00e+00 6.614 0.005 302.00 328.00 3 1.8044e+00 1.4301e-02 7.8737e-02 -6.0000e+00 1.0603e+00 8.7619e-01 1.8093e-02 4.5793e-02 -6.0000e+00 1.1568e+00 -1.2103e+00 1.4513e-02 2.1740e-02 -6.0000e+00 6.8796e-01 4.9899e-01 6.9530e-03 8.4404e-03 -6.0000e+00 2.8930e-01 5.0418e-05 -2.7618e-03 2.1222e-04 1.1262e-04 -6.0000e+00 2.2276e-02 7.7018e-03 0.0000e+00 12 8 8 10 0 0 99.92 22.76 0.39 0.00770 -0.01305 31 6 1 5 0 1639.990 26.11 19.99 22.76 12.17 36.4 976.61 -42275 -89859 900000 -122760 900000 900000 -85704 900000 -30783 100182 -132797 -3435 -108760 97637 900000 166736 -40466 130982 900000 900000 16612 55621 182059 -62876 74637 7462 900000 -11644 -11959 -32572 28231 251612 39889 146520 81627 18333 4597 29987 101699 394933 36383 145901 6567 33058 53510 900000 20097 231285 166171 90077 49774 35467 14300 190791 148007 61923 118047 73687 76596 24192 -3526 85730 21268 -2121 53280 -5187 53447 2642 22431 19438 15077 22511 34863 1330 39880 3678 13551 32200 -3798 -8343 -14044 21850 -2515 7891 -5926 3001 -10991 -1288 -6811 488 -4180 -4150 1111 -3161 -3400 -4286 -5991 -4653 -3332 -2984 -1403 -2958 -1208 4285 798 -318 -2203 -4106 -1026 4205 -2057 -4331 -659 -1215 -2253 -918 1143 2726 -63 -448 -2201 2833 4109 6049 1121 3192 -984 1594 655 157 1370 2191 1785 1609 919 148 211 463 -261 -1549 -958 -1360 -231 -2080 -1296 -4844 900000 -8729 900000 900000 -3235 900000 -735 716 -8456 -68 -6710 1044 900000 1307 -2519 1726 900000 900000 663 1475 1382 -4921 1655 317 900000 -555 -547 -1818 982 1798 1683 2432 2501 967 273 1517 3033 2822 2588 4002 685 2731 3634 900000 1843 2945 4077 4742 4083 3637 1953 5418 6661 6432 7474 7012 6875 3383 -623 6808 3361 -468 7737 -1348 8068 640 4758 4689 4214 6305 8875 447 8750 1022 3132 6015 -1034 -2679 -5602 7258 -1179 3658 -3303 1627 -7095 -793 -4484 300 -2578 -2427 589 -1728 -1973 -2819 -4626 -4076 -3252 -3133 -1468 -2979 -1101 3452 659 -278 -2063 -4126 -1079 4633 -2667 -6305 -994 -1881 -3474 -1364 1628 3869 -94 -703 -3588 4402 6132 8601 1617 4417 -1376 2147 927 245 2376 4127 3601 3415 2063 351 521 1161 -662 -3967 -2379 -3231 -514 -4539 SS 20241127T131142.7Z 9097.549800 178 1 50.47 2 79.07 130.85 53.52 166.39 0.00 1 0.00 1 0 25 3.614e-01 8.039e-03 7.789e-02 1.493e-03 6.738557e-01 7.967205e-04 7.721052e-03 -6.000000e+00 2.105897e-01 223.08 -2.00 3.51 -2.00 320.65 0.00e+00 3.461675e-03 3.314704e-04 1.462097e-03 -6.000000e+00 9.459477e-03 279.12 -2.00 20.00 -2.00 320.11 0.00e+00 5.081 0.002 302.00 328.00 3 8.0116e-01 2.4674e-03 6.1944e-02 -6.0000e+00 5.1781e-01 8.2028e-02 3.2470e-03 3.7592e-02 -6.0000e+00 5.6327e-01 -5.5742e-02 3.2634e-03 1.8308e-02 -6.0000e+00 3.3657e-01 1.2298e-02 1.6107e-03 7.2545e-03 -6.0000e+00 1.4281e-01 7.3511e-04 -1.1814e-03 4.2475e-05 7.4714e-05 -6.0000e+00 1.0779e-02 5.4398e-03 0.0000e+00 11 8 0 10 0 0 96.00 22.76 0.25 0.00544 -0.00344 185 35 1 5 0 272.780 26.11 20.00 22.76 13.12 36.7 981.90 -175066 -142557 900000 -169876 -79158 -80189 -120768 29619 -70663 -114355 -124295 -85687 -92534 -67874 41656 -21478 -49255 -30680 18212 28110 -43571 -4519 -16166 -35364 -18606 -18793 44369 -18023 -21217 -34694 -736 -1203 -336 -9143 -5204 15986 -9476 -5988 4173 2452 -3934 1642 -5786 -2349 -1364 8376 -2930 6433 2051 5321 38 1904 853 5354 4474 2071 3403 -716 2866 -289 162 3542 2023 526 1810 10 2301 1174 1215 1980 239 988 80 -1105 635 -407 946 1439 1209 -809 -506 695 -2017 -1665 -1452 -1275 -1387 -774 -872 -364 -154 668 777 1597 954 966 389 631 -384 -307 -301 -293 221 1075 -159 -1236 -824 -1031 -140 77 37 -580 -166 -56 65 548 843 1173 502 -372 -1047 -365 158 130 -115 -126 293 1392 888 -1 489 39 477 215 177 -428 -198 174 -289 -700 -319 -56 185 350 -1911 -1384 900000 -2494 -451 -447 -1055 71 -480 -1332 -1734 -915 -1302 -972 281 -310 -1105 -648 261 392 -1306 -94 -388 -1103 -537 -586 764 -582 -708 -1389 -24 -48 -14 -483 -273 729 -536 -374 286 207 -413 181 -687 -282 -167 1026 -385 797 279 746 6 338 171 1130 1028 516 871 -195 745 -76 42 949 573 172 645 4 844 437 478 866 113 502 42 -578 306 -193 403 583 512 -396 -274 432 -1375 -1236 -1148 -1072 -1168 -679 -783 -321 -130 559 611 1216 766 821 385 682 -450 -387 -380 -346 248 1110 -166 -1382 -973 -1226 -177 106 55 -907 -273 -93 104 833 1289 1793 766 -602 -1764 -608 253 200 -179 -190 423 1938 1292 -2 855 72 899 429 360 -932 -435 391 -662 -1604 -705 -121 377 715 SS 20241127T131748.6Z 9097.554034 181 1 50.54 2 78.20 131.99 53.30 168.20 0.00 1 0.00 1 0 25 2.607e-01 7.167e-03 5.096e-02 1.125e-03 6.341837e-01 5.917251e-04 7.329708e-03 -6.000000e+00 1.519085e-01 223.08 -2.00 3.51 -2.00 320.34 0.00e+00 3.092881e-03 2.250204e-04 1.086346e-03 -6.000000e+00 6.742214e-03 279.12 -2.00 20.00 -2.00 319.79 0.00e+00 4.738 0.002 302.00 328.00 3 6.3955e-01 1.7717e-03 5.7586e-02 -6.0000e+00 3.7351e-01 7.5438e-02 2.2503e-03 3.4316e-02 -6.0000e+00 4.0631e-01 -4.2874e-02 2.1707e-03 1.6860e-02 -6.0000e+00 2.4263e-01 5.5634e-03 1.0938e-03 6.4459e-03 -6.0000e+00 1.0256e-01 1.2421e-03 -1.0512e-03 3.2238e-05 6.7254e-05 -6.0000e+00 7.7695e-03 5.1897e-03 0.0000e+00 11 8 0 10 0 0 54.77 22.76 0.19 0.00519 -0.00271 265 50 1 5 0 190.670 26.11 20.00 22.76 13.65 36.7 984.60 -112000 -104237 54293 -121379 -46747 -104108 -67924 -67169 -27016 -93560 -76078 -71883 -59839 -34753 -6577 -11260 -34382 -5426 3695 20535 -29082 -698 -8361 -15425 -15417 -10674 12554 -13847 -11227 -22216 -2151 -5717 1888 -8089 1674 3876 -2405 -5729 1899 1925 -4287 -478 -5205 -133 -2241 4451 -2256 3746 1364 2648 1486 1527 1297 2916 3627 716 2980 -238 1477 -331 865 1913 2250 400 783 420 1759 1584 1367 1721 -96 339 -282 -354 196 -292 408 1021 1254 -768 -75 -93 -1274 -1557 -1401 -1467 -1046 -727 -674 -485 -18 502 620 1534 930 1115 444 882 -412 -384 -233 -499 224 753 -73 -1188 -565 -892 5 111 -27 -483 -232 -1 129 776 1016 1085 316 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