File name: Pandora55s1_QueensNY_20240102_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T130319.0Z 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_20240102_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: 20240102 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 20240102T132415.9Z 8767.558517 297 1 14.22 2 80.87 131.24 60.64 247.30 0.00 1 0.00 1 0 25 6.704e-01 2.913e-02 2.625e-01 8.380e-03 9.275454e-01 4.836424e-03 1.032089e-02 -6.000000e+00 4.047123e-01 223.36 -2.00 3.51 -2.00 321.62 0.00e+00 4.618732e-03 2.483640e-03 2.035740e-03 -6.000000e+00 1.940649e-02 276.14 -2.00 20.00 -2.00 321.19 0.00e+00 5.982 0.004 302.00 328.00 3 1.5123e+00 1.6616e-02 7.7314e-02 -6.0000e+00 1.0062e+00 7.2369e-01 2.3206e-02 5.0720e-02 -6.0000e+00 1.1033e+00 -9.9825e-01 2.2881e-02 2.8019e-02 -6.0000e+00 6.4474e-01 4.2362e-01 1.0674e-02 9.4938e-03 -6.0000e+00 2.6598e-01 1.0725e-04 -2.0769e-03 2.2642e-04 1.4764e-04 -6.0000e+00 2.0740e-02 3.1574e-03 0.0000e+00 12 9 9 12 1 1 -15.45 22.73 0.21 0.00316 -0.01245 11 8 1 5 0 1184.400 26.11 19.99 22.73 4.18 34.1 942.69 -201542 -148297 900000 -212503 81474 900000 -21584 900000 900000 900000 -212896 -179152 -166949 -147025 900000 93012 -57598 24787 900000 900000 900000 55800 900000 -82658 8688 -51526 900000 -47330 28625 -83920 4250 317653 72107 34274 77751 900000 -15696 -10278 85057 261080 34032 108869 2571 64274 53249 113678 7527 114755 87387 65825 33458 14096 7140 109087 62653 29020 61526 43338 71552 29883 27905 44604 22641 -368 36302 3278 21378 9273 7780 14611 -334 12758 20497 2703 25778 6046 11590 18800 382 160 -3156 14191 -1430 2556 -2480 -854 -4859 -756 -5024 4 -899 -3915 321 -4390 -1712 -4502 -4062 -3238 -2730 -1831 -1925 -3298 -848 883 -1612 -2846 -2454 -2234 -2021 1508 250 -2125 -621 160 -1096 577 641 2487 348 -270 -601 535 2162 3712 1201 440 1613 2434 711 -1089 801 1623 2121 1329 598 -207 41 172 -960 -1811 -500 -62 -731 -843 -5838 -3071 900000 -8250 664 900000 -176 900000 900000 900000 -8162 -5523 -5584 -5233 900000 758 -1581 348 900000 900000 900000 621 900000 -3392 161 -1728 900000 -1486 435 -3769 97 2590 1272 950 1458 900000 -676 -462 1847 2129 1578 2752 182 2652 2443 2996 537 3141 3260 3219 2412 1353 812 5285 5006 3306 5386 4492 5580 3264 3042 4305 2965 -68 5338 693 3890 1929 1750 3451 -101 3666 5605 841 6027 1535 2540 3750 96 47 -1124 5045 -662 1246 -1339 -478 -2947 -459 -3217 2 -528 -2251 171 -2443 -995 -3054 -3176 -2888 -2731 -1958 -2082 -3437 -793 750 -1379 -2547 -2303 -2196 -2129 1702 318 -3037 -938 248 -1696 864 942 3618 530 -427 -968 842 3234 5292 1702 612 2177 3227 998 -1709 1389 3053 4243 2802 1332 -484 98 423 -2379 -4492 -1195 -140 -1571 -1754 SS 20240102T133652.3Z 8767.567271 303 1 50.51 2 79.10 133.58 62.86 249.74 0.00 1 0.00 1 0 25 5.818e-01 7.989e-03 7.816e-02 1.177e-03 8.366704e-01 6.448364e-04 9.371258e-03 -6.000000e+00 3.418006e-01 223.36 -2.00 3.51 -2.00 321.08 0.00e+00 4.812167e-03 2.996586e-04 2.420515e-03 -6.000000e+00 1.504200e-02 276.14 -2.00 20.00 -2.00 320.62 0.00e+00 5.099 0.002 302.00 328.00 3 1.1370e-01 2.0632e-03 6.8685e-02 -6.0000e+00 8.4275e-01 1.5410e-01 2.9675e-03 4.9265e-02 -6.0000e+00 9.1748e-01 -1.2112e-01 3.3164e-03 2.4111e-02 -6.0000e+00 5.4485e-01 3.6796e-02 1.5849e-03 1.0333e-02 -6.0000e+00 2.2947e-01 1.1652e-03 -1.1432e-03 3.1127e-05 1.0248e-04 -6.0000e+00 1.7606e-02 4.0572e-03 0.0000e+00 11 8 0 10 0 0 4.47 22.73 0.23 0.00406 -0.00453 347 66 1 5 0 145.520 26.11 20.00 22.73 5.20 34.6 948.97 -180707 -259334 900000 -239471 -100131 -196983 -195913 900000 -187055 -137788 -224136 -153616 -174402 -119287 -30184 -53023 -96083 -11809 18487 -23037 -11653 -39447 -27564 -79483 -22618 -52595 65406 -53188 -29987 -58078 -14386 -18318 -18509 -8094 -18071 18092 -20738 -7754 -8166 3561 -6801 2987 -5726 -1734 652 4109 -2491 3788 6047 4691 5500 3689 3116 6676 5716 3438 2977 1803 879 2259 1084 5655 1916 2866 2624 1854 2248 1349 2195 2248 899 -82 940 -1127 195 -926 667 604 1224 -35 59 673 -1442 -1170 -1771 -1289 -1597 -502 -850 -387 152 1032 954 1068 966 482 661 367 -325 -505 -345 -382 320 885 -195 -1412 -1069 -857 -264 179 -254 -525 -308 67 34 638 1085 912 509 -398 -489 -546 168 -78 65 -8 329 1457 757 -55 393 -19 345 153 47 -412 -138 165 -384 -453 -97 -23 152 204 -603 -2408 900000 -2174 -241 -1110 -1145 900000 -1288 -712 -2760 -1090 -1965 -1058 -163 -463 -1424 -96 125 -233 -122 -506 -325 -1700 -302 -1026 450 -1104 -504 -1400 -267 -447 -556 -251 -647 449 -792 -298 -384 182 -416 186 -421 -129 49 308 -208 313 526 452 587 457 440 1013 881 578 526 328 160 394 190 1005 399 684 708 536 657 408 709 762 350 -35 408 -485 77 -334 232 204 439 -14 28 371 -869 -774 -1259 -968 -1190 -386 -668 -298 119 755 665 739 716 386 621 381 -367 -618 -425 -440 347 871 -191 -1474 -1177 -998 -312 236 -362 -797 -500 110 55 989 1621 1371 796 -658 -826 -904 264 -123 100 -12 466 2002 1102 -87 675 -37 685 311 102 -918 -322 393 -927 -1086 -222 -52 315 424 SS 20240102T134248.6Z 8767.571396 306 1 50.48 2 78.30 134.70 63.91 250.85 0.00 1 0.00 1 0 25 5.072e-01 8.210e-03 4.846e-02 9.562e-04 7.863405e-01 5.156346e-04 8.878119e-03 -6.000000e+00 2.958541e-01 223.36 -2.00 3.51 -2.00 320.82 0.00e+00 4.257442e-03 2.225418e-04 1.825138e-03 -6.000000e+00 1.311220e-02 276.14 -2.00 20.00 -2.00 320.34 0.00e+00 4.775 0.002 302.00 328.00 3 9.8615e-02 1.6013e-03 6.3618e-02 -6.0000e+00 7.2867e-01 1.4075e-01 2.1922e-03 4.4314e-02 -6.0000e+00 7.9284e-01 -1.0644e-01 2.3534e-03 2.2055e-02 -6.0000e+00 4.7281e-01 3.1258e-02 1.1478e-03 9.1414e-03 -6.0000e+00 2.0001e-01 1.6879e-03 -1.1333e-03 2.5553e-05 9.0735e-05 -6.0000e+00 1.5123e-02 3.8952e-03 0.0000e+00 11 8 0 10 0 0 -16.80 22.73 0.23 0.00390 -0.00462 421 80 1 5 0 119.850 26.11 20.00 22.73 5.61 34.5 950.54 -214278 -203661 900000 -222090 -88019 -203254 -103268 -163005 -88760 -166467 -139046 -147020 -130111 -87169 -51760 -18265 -78744 -60030 -37298 14882 -39529 -9296 -31308 -36026 -25687 -30660 9965 -36264 -20189 -51431 -3379 -20637 5011 -15621 -41 3637 -9348 -5428 -5103 5437 -8349 5258 -5813 2774 -1831 6728 -1750 5217 2665 4896 5127 1714 4637 4052 6448 1046 3546 -531 1958 358 1602 2655 2386 1913 757 2780 1120 2587 1431 2707 272 826 378 -372 157 -482 676 -89 1714 -775 625 -377 -1113 -1581 -1473 -1436 -1324 -740 -829 -76 -170 916 430 1557 785 636 432 662 -260 -582 -120 -534 488 580 -152 -1440 -566 -1095 -211 -109 -205 -478 -405 87 -4 720 828 1098 421 -280 -643 -359 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