File name: Pandora55s1_QueensNY_20240719_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240720T051119.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 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_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240719_L1_smca1c17d20220526p1-8.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: 20240719 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240719T102629.8Z 8966.435067 137 1 51.04 2 82.97 68.65 122.74 258.26 0.00 1 0.00 1 0 25 6.855e-01 5.841e-02 2.158e-01 1.347e-02 9.043855e-01 8.315186e-03 1.030805e-02 -6.000000e+00 4.433496e-01 232.73 -2.00 3.51 -2.00 321.82 0.00e+00 -5.617324e-03 3.226870e-03 4.080079e-03 -6.000000e+00 2.082686e-02 289.70 -2.00 20.00 -2.00 321.19 0.00e+00 7.492 0.008 302.00 328.00 3 1.3993e+00 2.8117e-02 9.1234e-02 -6.0000e+00 1.1205e+00 1.6960e+00 3.3693e-02 5.4298e-02 -6.0000e+00 1.2228e+00 -2.0263e+00 1.9191e-02 2.4268e-02 -6.0000e+00 7.1330e-01 7.3599e-01 1.0109e-02 6.6735e-03 -6.0000e+00 2.9365e-01 2.4225e-05 -1.6883e-03 3.9970e-04 1.0563e-04 -6.0000e+00 2.2354e-02 1.2554e-02 0.0000e+00 12 9 8 11 36 0 -31.13 22.86 0.77 0.01255 -0.00013 20 4 1 5 0 2551.530 26.21 19.97 22.86 25.82 37.8 1069.68 30409 224667 -19893 120092 900000 27694 900000 199761 15319 -28579 -5898 -12247 54251 900000 77887 -24336 900000 900000 900000 900000 106628 251796 -49417 52433 65290 900000 55578 -6967 -36110 4119 900000 60710 900000 21463 900000 -1222 -30184 900000 900000 45951 900000 5327 56466 76632 900000 -15490 900000 207675 900000 20841 88058 -18522 900000 900000 115394 900000 140938 900000 73662 86034 173295 48266 -32119 154619 -26987 258730 -11683 52103 57659 36745 70858 85876 -907 121897 14649 53738 217492 -17171 -2609 -19834 73932 11101 25640 -8116 20497 -13201 1292 -10836 7873 73 -13546 13117 3224 -1961 434 -11967 -6015 362 2387 -1367 -1244 -1140 14603 7173 4050 -2145 -6339 -843 13132 5151 -10308 1839 -3255 -3936 -4978 1601 6822 -1969 -1356 -5832 1457 6182 16736 -3635 4937 -5305 804 -4549 -3720 1403 3754 2002 2000 2312 -1355 1378 -251 1657 -3281 -483 -2243 2270 -921 3397 3679 -3030 4001 900000 1768 900000 2613 1148 -3198 -534 -1271 3372 900000 4770 -4130 900000 900000 900000 900000 4351 3293 -8437 3521 3898 900000 3178 -650 -4194 341 900000 3663 900000 1912 900000 -120 -4155 900000 900000 4475 900000 808 5161 5471 900000 -2430 900000 3756 900000 2508 6046 -3784 900000 900000 7673 900000 7433 900000 6586 6465 5577 5510 -8642 7714 -7801 4803 -2908 7472 8638 7457 11099 11822 -272 10525 3126 7113 5653 -4381 -654 -6864 12298 3766 8289 -3816 7786 -7177 637 -6046 3643 35 -6930 4972 1332 -904 222 -7992 -4399 284 1997 -1201 -1033 -862 8818 4596 2795 -1661 -5383 -734 11150 5338 -13700 2376 -4547 -5514 -6877 2051 8425 -2721 -1954 -8966 2086 8180 19498 -4933 6067 -6972 991 -6166 -5595 2301 6693 3927 4172 5138 -3297 3432 -651 4265 -8774 -1228 -5496 5026 -2021 SS 20240719T103754.6Z 8966.442993 140 1 50.47 2 80.95 70.41 124.76 259.79 0.00 1 0.00 1 0 25 7.760e-01 4.009e-02 2.031e-01 5.573e-03 7.918872e-01 3.263715e-03 1.138658e-02 -6.000000e+00 4.819918e-01 232.73 -2.00 3.51 -2.00 321.59 0.00e+00 3.045060e-02 1.761617e-03 7.671608e-03 -6.000000e+00 2.304201e-02 289.70 -2.00 20.00 -2.00 321.02 0.00e+00 6.020 0.004 302.00 328.00 3 1.6231e+00 1.1983e-02 7.4891e-02 -6.0000e+00 1.2119e+00 1.0090e+00 1.4659e-02 4.2535e-02 -6.0000e+00 1.3148e+00 -1.3630e+00 1.0581e-02 2.9011e-02 -6.0000e+00 7.7545e-01 5.6305e-01 5.2370e-03 2.3473e-02 -6.0000e+00 3.2208e-01 9.2557e-05 -1.8589e-03 1.5793e-04 4.9607e-04 -6.0000e+00 2.4047e-02 1.4051e-02 0.0000e+00 12 9 8 11 4 0 47.91 22.86 0.46 0.01405 0.00008 41 8 1 5 0 1229.930 26.21 20.01 22.86 26.31 37.6 1071.96 8395 900000 -24602 82356 900000 42841 900000 343557 -54921 -59795 -48634 -72496 54529 900000 124118 11079 -118201 900000 900000 74804 900000 218333 -9381 53614 68921 900000 33808 -12547 -23316 68953 144706 115749 50680 100475 900000 48758 15975 147242 299668 76717 138365 25950 57578 65940 453591 41353 167906 104939 129409 57452 62616 23654 120934 103234 50024 78822 41933 68418 28177 45293 57425 29604 4982 55538 9398 50280 16478 18696 23872 12889 23590 19678 5538 22518 3613 9645 24675 -2174 -368 -6125 14981 872 3273 -5189 -2272 -9192 -4616 -7851 -3339 -2853 -4312 -118 -3106 -5873 -4077 -7620 -3928 -2704 -1439 -480 -1579 -253 1629 -185 -3137 -3669 -4205 -1222 419 276 -4221 -997 -1792 -2097 -1294 222 2680 932 1026 -1331 1118 3496 6365 1695 2460 435 2949 662 1 1836 2595 2411 1683 1453 -862 246 -359 -210 -1621 -780 -1041 -738 -2011 281 900000 -1156 1231 900000 673 900000 1864 -1633 -1744 -1316 -2994 907 900000 1758 535 -20865 900000 900000 2258 900000 1384 -484 1398 1438 900000 898 -522 -1170 1715 2160 2727 2409 2971 900000 2112 978 2846 1626 3448 3645 2058 3544 3883 2461 3280 4199 4987 5152 4772 5354 3140 6870 7178 5729 6842 4959 6100 3557 4915 5919 4440 1062 8229 2244 8191 3658 4213 5603 3688 6530 5720 1769 5719 993 2278 4898 -583 -111 -2314 5417 402 1593 -2882 -1289 -5821 -2919 -5213 -2129 -1753 -2549 -64 -1695 -3437 -2648 -5934 -3431 -2644 -1512 -508 -1605 -233 1368 -156 -2828 -3515 -4262 -1300 482 353 -6151 -1506 -2774 -3210 -1911 317 3806 1391 1601 -2177 1788 5318 9182 2468 3468 607 3972 941 2 3176 4854 4807 3539 3204 -2028 594 -891 -524 -4085 -1905 -2440 -1634 -4351 SS 20240719T104942.3Z 8966.451184 145 1 50.51 2 78.83 72.21 126.85 261.39 0.00 1 0.00 1 0 25 5.350e-01 1.282e-02 1.182e-01 2.350e-03 7.025398e-01 1.323046e-03 7.939356e-03 -6.000000e+00 3.269971e-01 232.73 -2.00 3.51 -2.00 320.93 0.00e+00 4.575514e-03 6.205177e-04 8.767807e-04 -6.000000e+00 1.520232e-02 289.70 -2.00 20.00 -2.00 320.28 0.00e+00 4.980 0.002 302.00 328.00 3 1.4987e+00 4.4469e-03 6.2514e-02 -6.0000e+00 8.1907e-01 9.0927e-02 5.9804e-03 3.7950e-02 -6.0000e+00 8.8426e-01 -1.2365e-01 5.6146e-03 2.0370e-02 -6.0000e+00 5.2521e-01 4.3526e-02 2.6882e-03 8.3660e-03 -6.0000e+00 2.2111e-01 3.8506e-04 -2.8539e-04 6.7626e-05 9.7927e-05 -6.0000e+00 1.6493e-02 1.4670e-02 0.0000e+00 12 9 8 11 4 0 -0.11 22.86 0.30 0.01467 0.01253 95 18 1 5 0 531.650 26.21 19.99 22.86 26.81 37.7 1074.54 -221655 900000 -239544 -113489 -145835 -156229 900000 -96907 -129704 -205212 -125135 -163353 -90239 900000 -27488 -98686 -20762 228859 75534 -54761 -10876 -5170 -70068 -22333 -27468 900000 -41058 -31126 -62029 -13972 14319 -8523 -8553 -10419 72533 -18737 -16615 3333 16815 -2855 9095 -6028 956 741 30078 -3389 10894 8135 10700 6299 1481 -575 15621 12336 6080 8627 4241 5270 3040 3063 11347 4147 -810 5018 -629 6003 1021 1718 2824 689 1897 1461 -2145 2512 -728 1624 3653 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