File name: Pandora55s1_QueensNY_20220411_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T115428.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20220411_L1_smca1c19d20211111p1-8.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: 20220411 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: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20220411T110412.2Z 8136.461253 171 1 50.26 2 83.05 84.88 113.82 331.53 0.00 1 0.00 1 0 17 9.218e-01 2.910e-02 3.147e-01 6.671e-03 1.053487e+00 4.219005e-03 1.255866e-02 -6.000000e+00 5.740195e-01 228.28 -2.00 3.51 -2.00 322.27 0.00e+00 6.024238e-03 2.580031e-03 2.056406e-02 -6.000000e+00 3.002065e-02 279.93 -2.00 20.00 -2.00 321.84 0.00e+00 7.580 0.008 302.00 328.00 3 1.5758e-01 1.6658e-02 1.5572e-01 -6.0000e+00 1.4315e+00 1.2728e+00 2.3555e-02 1.7289e-01 -6.0000e+00 1.5654e+00 -1.6252e+00 2.2436e-02 5.6145e-02 -6.0000e+00 9.1532e-01 6.4572e-01 1.0115e-02 1.3514e-02 -6.0000e+00 3.8259e-01 7.1865e-05 -3.8417e-03 1.8621e-04 2.7721e-04 -6.0000e+00 3.0224e-02 4.2453e-03 -1.7814e-04 12 8 8 10 0 0 16.83 22.40 0.38 0.00425 -0.02462 57 11 1 5 0 880.960 25.58 20.01 22.40 10.38 30.9 1055.21 142994 900000 900000 -154654 900000 900000 -113269 900000 900000 -38323 -166018 -103484 -144487 -10784 900000 76447 -115402 96081 900000 900000 900000 900000 900000 95505 -24437 101675 900000 900000 -6571 -62927 206145 900000 453322 -47372 147248 900000 105415 9288 900000 900000 70491 900000 20519 49665 74443 900000 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-1149 1 -1606 -919 -1841 696 -709 -1275 -969 906 -717 1006 -3072 -2428 -3203 -3283 -1126 -1432 163 2182 1494 -1730 -1800 -2332 -60 1402 -736 -8005 -3341 -3376 -3146 45 1146 4703 -387 -1208 -2775 2012 3940 7142 758 1351 1909 1814 679 -984 1309 2930 3344 2657 1976 -2050 799 1837 -349 -1803 -1551 -1129 -593 -4435 SS 20220411T111519.9Z 8136.468981 174 1 49.27 2 80.95 86.67 114.77 334.06 0.00 1 0.00 1 0 25 7.511e-01 1.233e-02 1.998e-01 2.409e-03 8.840026e-01 1.377364e-03 9.862631e-03 -6.000000e+00 4.513134e-01 228.28 -2.00 3.51 -2.00 321.55 0.00e+00 6.598764e-03 7.345211e-04 5.339853e-03 -6.000000e+00 2.101827e-02 279.93 -2.00 20.00 -2.00 321.06 0.00e+00 6.028 0.004 302.00 328.00 3 2.0847e-01 4.8563e-03 8.4157e-02 -6.0000e+00 1.1212e+00 2.5411e-01 7.3932e-03 6.7638e-02 -6.0000e+00 1.2186e+00 -2.5970e-01 8.1651e-03 2.6861e-02 -6.0000e+00 7.2085e-01 9.6288e-02 3.7390e-03 1.2217e-02 -6.0000e+00 3.0148e-01 4.1062e-04 -2.5254e-03 6.4684e-05 1.0945e-04 -6.0000e+00 2.3007e-02 3.5462e-03 -1.3877e-04 12 8 8 10 0 0 76.04 22.33 0.28 0.00355 -0.01543 148 28 1 5 0 332.870 25.58 20.00 22.33 11.09 30.8 1058.52 -179198 900000 900000 -336667 -126095 900000 -248250 900000 -172525 -228390 -289857 -216870 -236309 -171331 900000 -16762 -182442 -68448 29045 327503 -242 -39231 -13850 -99955 -63976 -65498 900000 -39826 -71194 -100363 -8757 6670 -3433 -60860 -9282 149538 -16455 -21248 39639 36436 -5872 21721 -10505 8001 -2466 35798 -12 19928 23363 15811 3546 3617 2350 15255 19157 6972 15616 6380 10479 3359 6815 13173 5943 580 7142 -304 7952 991 3564 3274 69 3563 2597 -579 4816 1286 3083 3372 1508 189 -221 1906 383 -13 -1944 -1885 -2517 -1111 -2151 -348 -935 392 387 829 126 422 -701 -84 -538 -925 -268 -917 747 1653 77 -1204 -1316 -864 -210 106 -234 -987 -342 -517 -381 421 1000 1072 460 -353 -731 39 695 559 369 -120 609 1380 381 -275 493 191 724 382 214 -468 -177 364 -481 -415 -283 3 -52 -120 -439 900000 900000 -5472 -296 900000 -1717 900000 -716 -1794 -4530 -1990 -3421 -1821 900000 -68 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-6.0000e+00 6.3229e-01 1.2345e-01 2.8943e-03 4.5239e-02 -6.0000e+00 6.8646e-01 -6.8719e-02 3.0275e-03 2.0542e-02 -6.0000e+00 4.0670e-01 1.3007e-02 1.4670e-03 8.5533e-03 -6.0000e+00 1.6884e-01 1.3665e-03 -2.2899e-03 3.3829e-05 8.2078e-05 -6.0000e+00 1.2919e-02 2.9013e-03 -1.4064e-04 11 8 0 10 0 0 37.34 22.48 0.27 0.00290 -0.01431 280 53 1 5 0 171.620 25.58 20.02 22.48 11.86 30.9 1062.81 -198331 66689 -64813 -127660 -156808 -16528 -181499 900000 -123145 -112925 -138390 -122346 -100435 -97961 170682 -35077 -52905 -39527 15795 -19061 6952 -17528 -24817 -33489 -37421 -17402 -4510 -13202 -36920 -32870 -14263 -1048 -8065 -17673 -493 6710 -3397 -10586 7463 -1489 -2099 -2759 -3218 -4075 20 6088 -3007 2514 2162 5424 85 3538 358 3575 2942 1960 1998 176 1252 -690 2581 2086 2867 -73 1905 -220 2533 841 2347 1712 561 125 -492 -452 -356 101 106 2160 861 367 -120 -246 -1104 -1117 -1431 -1489 -825 -832 -632 -597 106 478 587 1228 1354 1168 524 888 -388 -213 -406 -404 426 949 -287 -1043 -522 -808 -57 -150 61 -789 -298 -206 1 619 1020 990 241 -371 -580 36 -61 46 -96 -93 401 1322 624 -135 183 -121 411 98 115 -481 -22 154 -476 -385 -38 24 243 104 -1497 80 -195 -670 -1063 -30 -1648 900000 -808 -741 -1286 -1124 -945 -1200 205 -376 -804 -601 154 -284 84 -276 -437 -696 -888 -364 -86 -276 -993 -917 -390 -31 -308 -831 -20 253 -150 -584 420 -102 -168 -247 -311 -417 2 597 -335 278 255 669 12 558 60 644 577 412 437 40 277 -152 555 482 741 -22 628 -77 865 297 816 678 254 61 -248 -221 -162 41 40 831 332 164 -64 -144 -737 -814 -1046 -1158 -674 -710 -547 -508 86 362 449 924 1086 1002 497 972 -459 -270 -511 -473 471 973 -300 -1161 -611 -950 -72 -199 91 -1242 -493 -343 2 949 1511 1479 378 -614 -986 60 -97 71 -148 -139 577 1851 928 -217 316 -220 798 194 243 -1039 -50 355 -1116 -895 -85 51 497 215 SS 20220411T113211.7Z 8136.480691 182 1 47.39 2 77.75 89.40 116.06 338.00 0.00 1 0.00 1 0 25 2.801e-01 6.230e-03 4.107e-02 9.419e-04 6.914229e-01 5.052918e-04 7.920324e-03 -6.000000e+00 1.658784e-01 228.28 -2.00 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