File name: Pandora55s1_QueensNY_20210511_L2Fit_fout2c11d20210101p1-8.txt File generation date: 20260625T184647.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c11p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v11d20210101.txt Level 1 file used: Pandora55s1_QueensNY_20210511_L1_smca1c11d20210101p1-8.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: 20210511 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]: 305.0145 305.1546 305.2946 305.4346 305.5746 305.7145 305.8545 305.9945 306.1344 306.2744 306.4143 306.5542 306.6941 306.8340 306.9739 307.1138 307.2536 307.3935 307.5333 307.6732 307.8130 307.9528 308.0926 308.2324 308.3722 308.5120 308.6517 308.7915 308.9312 309.0710 309.2107 309.3504 309.4901 309.6298 309.7695 309.9091 310.0488 310.1884 310.3281 310.4677 310.6073 310.7469 310.8865 311.0261 311.1657 311.3053 311.4448 311.5844 311.7239 311.8634 312.0029 312.1424 312.2819 312.4214 312.5609 312.7003 312.8398 312.9792 313.1187 313.2581 313.3975 313.5369 313.6763 313.8156 313.9550 314.0944 314.2337 314.3730 314.5124 314.6517 314.7910 314.9303 315.0695 315.2088 315.3481 315.4873 315.6265 315.7658 315.9050 316.0442 316.1834 316.3226 316.4617 316.6009 316.7401 316.8792 317.0183 317.1574 317.2966 317.4357 317.5747 317.7138 317.8529 317.9919 318.1310 318.2700 318.4090 318.5481 318.6871 318.8260 318.9650 319.1040 319.2429 319.3819 319.5208 319.6598 319.7987 319.9376 320.0765 320.2153 320.3542 320.4931 320.6319 320.7708 320.9096 321.0484 321.1872 321.3260 321.4648 321.6036 321.7423 321.8811 322.0198 322.1586 322.2973 322.4360 322.5747 322.7134 322.8520 322.9907 323.1294 323.2680 323.4066 323.5453 323.6839 323.8225 323.9611 324.0996 324.2382 324.3768 324.5153 324.6538 324.7924 324.9309 --------------------------------------------------------------------------------------- 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 20210511T102642.3Z 7801.435212 64 1 50.65 2 82.92 72.31 83.42 76.72 0.00 1 0.00 1 0 25 8.215e-01 4.357e-02 3.175e-01 1.145e-02 1.014064e+00 7.504501e-03 1.176642e-02 -6.000000e+00 5.364013e-01 230.76 -2.00 3.51 -2.00 322.29 0.00e+00 1.555917e-03 4.345611e-03 2.094422e-02 -6.000000e+00 2.766867e-02 283.20 -2.00 20.00 -2.00 321.84 0.00e+00 7.458 0.008 302.00 328.00 3 1.2453e+00 2.9480e-02 1.6197e-01 -6.0000e+00 1.3507e+00 1.6183e+00 3.8170e-02 1.9202e-01 -6.0000e+00 1.4736e+00 -2.0713e+00 2.9338e-02 6.1529e-02 -6.0000e+00 8.5873e-01 7.9656e-01 1.3746e-02 1.5356e-02 -6.0000e+00 3.5941e-01 2.6254e-05 -2.6311e-03 3.4066e-04 2.0585e-04 -6.0000e+00 2.7346e-02 1.8621e-03 1.0534e-04 12 9 8 11 32 0 99.13 22.84 0.69 0.00186 -0.01791 27 5 1 5 0 1875.630 25.68 20.00 22.84 16.14 28.2 1059.63 41444 900000 900000 26206 900000 900000 -51939 900000 900000 900000 -54064 -18763 -73813 106776 900000 257020 -25535 900000 900000 900000 900000 276193 900000 76110 67285 55786 900000 17813 6506 -14521 208069 900000 104322 -12959 118109 900000 140124 -17833 900000 900000 232498 85928 32462 125581 900000 900000 78843 900000 900000 900000 27512 92030 -24000 900000 900000 900000 900000 900000 900000 171619 151710 201661 58820 -16828 900000 -31600 279473 2262 170883 63594 6553 19425 119454 11106 316358 20024 24240 165757 -3687 30527 -4981 6476 13748 40424 -12208 14413 -1276 4183 -9803 7371 -5953 -10112 7450 -6319 6488 7644 1956 -4035 -5270 -2754 1160 -424 38 17087 7268 -3489 -1312 5768 2141 7026 975 -11097 1746 -2848 -3396 -6381 867 4868 -2818 -1209 -3931 -877 6722 11997 -167 2060 -2704 3963 -2140 -3949 -252 3786 -3336 1613 3711 -190 2594 323 1823 -1602 -2336 -688 352 -1964 1420 900000 900000 986 900000 900000 -2668 900000 900000 900000 -2676 -679 -5143 1557 900000 2850 -1975 900000 900000 900000 900000 3063 900000 1785 1744 1599 900000 645 243 -657 2307 900000 2220 -912 2295 900000 1949 -1216 900000 900000 2578 3299 2117 3297 900000 900000 2968 900000 900000 900000 1993 3946 -3394 900000 900000 900000 900000 900000 900000 3910 3977 3278 4140 -2734 900000 -6888 3099 367 5939 6841 1342 3766 9099 2253 3508 3033 3175 5405 -645 4454 -1213 1663 3759 9451 -4964 4805 -515 1662 -4487 2831 -2486 -4160 2489 -2427 2394 3226 1026 -2620 -3971 -2214 917 -322 26 9149 4175 -2312 -900 3933 1643 5787 972 -13947 2134 -3779 -4549 -8628 1085 5949 -3830 -1692 -5744 -1228 8425 13776 -207 2459 -3285 4510 -2719 -5783 -411 6686 -6803 3371 8147 -456 6374 827 4636 -4159 -5890 -1616 764 -4174 SS 20210511T103713.4Z 7801.442516 67 1 32.70 2 81.02 73.94 81.50 78.30 0.00 1 0.00 1 0 25 7.086e-01 4.187e-02 2.498e-01 1.030e-02 8.615234e-01 6.189823e-03 9.576851e-03 -6.000000e+00 4.402625e-01 230.76 -2.00 3.51 -2.00 321.72 0.00e+00 -1.086175e-02 3.162188e-03 1.030944e-03 -6.000000e+00 2.226672e-02 283.20 -2.00 20.00 -2.00 321.20 0.00e+00 6.066 0.004 302.00 328.00 3 2.3680e+00 2.2164e-02 7.7173e-02 -6.0000e+00 1.0999e+00 9.1981e-01 2.8678e-02 5.0238e-02 -6.0000e+00 1.1939e+00 -1.3572e+00 2.2158e-02 2.3760e-02 -6.0000e+00 7.0817e-01 5.7076e-01 1.0302e-02 1.0402e-02 -6.0000e+00 2.9788e-01 4.5022e-05 -4.0196e-03 3.0255e-04 1.3707e-04 -6.0000e+00 2.2672e-02 5.6914e-03 -2.0318e-04 12 9 9 12 33 1 99.93 22.85 0.40 0.00569 -0.02451 14 4 1 5 0 2167.630 25.68 20.00 22.85 16.36 28.2 1060.70 -68731 900000 900000 -95958 177564 900000 -47869 900000 174827 900000 -66917 852 -134186 91258 900000 85664 -62283 900000 85538 900000 900000 175106 900000 29713 29647 900000 900000 -13795 47443 -54539 90050 900000 72684 -1794 134912 106262 42844 -11622 900000 900000 70862 83526 32377 107325 113719 900000 38348 900000 432214 101890 41325 20920 38660 207311 119461 102028 148714 121286 140609 52769 51861 56087 19093 1781 68153 -4801 50495 -421 68877 31440 10291 10148 44083 11881 8768 7617 9452 45346 -100 -1965 -4554 23690 3132 10463 -2276 3068 -9622 -1506 -11839 -431 -8385 -7102 4837 -4865 -1005 -858 -9992 -4145 -3265 -6635 -712 -4797 -2509 6629 78 -3555 -2970 -451 962 4626 321 -5210 71 -123 -536 -926 775 -411 -128 205 -1380 496 5129 8248 2042 -4 1716 2308 10 -1606 -70 45 1452 1585 2278 221 867 261 495 -1027 -1670 -1176 -648 -2212 -3203 900000 900000 -5653 1778 900000 -1417 900000 1750 900000 -3147 22 -13581 1265 900000 1603 -5012 900000 1821 900000 900000 1753 900000 1057 1153 900000 900000 -797 1411 -4025 1803 900000 2195 -116 2392 2360 1728 -861 900000 900000 3893 4399 2819 4592 4409 900000 2826 900000 4327 4429 3388 2285 3941 4721 6693 7089 6975 7419 6986 5633 5333 5569 2877 350 7905 -1145 7165 -97 8851 6368 2842 3021 9796 3464 2445 1950 2157 7088 -25 -558 -1551 7224 1308 4467 -1162 1578 -5849 -883 -7748 -252 -5070 -4021 2349 -2577 -545 -524 -7638 -3448 -3032 -6831 -705 -4677 -2204 4994 62 -3060 -2683 -421 951 4869 392 -7364 102 -182 -796 -1345 1087 -584 -188 312 -2181 765 7348 11140 2824 -6 2262 2989 13 -2460 -118 84 2851 3277 4942 512 2084 645 1227 -2558 -4057 -2712 -1401 -4678 SS 20210511T105726.4Z 7801.456555 80 1 50.78 2 77.31 77.05 77.79 81.32 0.00 1 0.00 1 0 25 3.316e-01 7.796e-03 8.599e-02 1.510e-03 6.785946e-01 8.233390e-04 7.705897e-03 -6.000000e+00 1.987925e-01 230.76 -2.00 3.51 -2.00 320.56 0.00e+00 3.524390e-03 3.341062e-04 1.314453e-03 -6.000000e+00 8.827552e-03 283.20 -2.00 20.00 -2.00 319.95 0.00e+00 4.427 0.002 302.00 328.00 3 1.3173e+00 2.5528e-03 5.7957e-02 -6.0000e+00 4.9695e-01 8.0090e-02 3.3089e-03 3.8447e-02 -6.0000e+00 5.3730e-01 -5.9784e-02 3.1842e-03 1.8435e-02 -6.0000e+00 3.1989e-01 1.2749e-02 1.5709e-03 7.6707e-03 -6.0000e+00 1.3403e-01 7.7462e-04 -1.1964e-03 4.3005e-05 7.1253e-05 -6.0000e+00 9.9124e-03 2.2370e-03 -3.7978e-07 11 8 0 10 0 0 99.42 22.86 0.24 0.00224 -0.00675 158 30 1 5 0 319.340 25.79 20.00 22.86 17.15 28.3 1065.07 -135069 -29029 900000 -142988 -106637 -58387 -158806 43565 -67889 -78155 -134161 -92129 -120190 -60848 32776 -28984 -58285 -27366 40358 -1429 -5243 -6859 -2131 -20587 -24995 -24861 17747 -25200 -16602 -29777 -4796 -5595 -5423 -15158 -8218 20745 -9424 -6086 3890 3698 -4952 -3742 -5005 -1397 100 6915 -675 2868 4423 3093 718 440 859 5460 2906 3383 2484 2036 2946 1128 791 3649 1557 18 1847 -314 2348 671 2871 1239 -185 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