File name: Pandora206s1_BuffaloNY_20240829_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20241204T195207.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v6d20240814.txt Level 1 file used: Pandora206s1_BuffaloNY_20240829_L1_smca1c6d20240814p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20240829 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0348 305.1758 305.3167 305.4577 305.5987 305.7396 305.8805 306.0215 306.1624 306.3033 306.4442 306.5850 306.7259 306.8668 307.0076 307.1484 307.2893 307.4301 307.5709 307.7117 307.8524 307.9932 308.1340 308.2747 308.4154 308.5561 308.6968 308.8375 308.9782 309.1189 309.2596 309.4002 309.5408 309.6815 309.8221 309.9627 310.1033 310.2438 310.3844 310.5250 310.6655 310.8060 310.9466 311.0871 311.2276 311.3681 311.5085 311.6490 311.7894 311.9299 312.0703 312.2107 312.3511 312.4915 312.6319 312.7723 312.9126 313.0530 313.1933 313.3336 313.4740 313.6143 313.7545 313.8948 314.0351 314.1753 314.3156 314.4558 314.5960 314.7362 314.8764 315.0166 315.1568 315.2970 315.4371 315.5772 315.7174 315.8575 315.9976 316.1377 316.2777 316.4178 316.5579 316.6979 316.8379 316.9780 317.1180 317.2580 317.3980 317.5379 317.6779 317.8178 317.9578 318.0977 318.2376 318.3775 318.5174 318.6573 318.7972 318.9370 319.0769 319.2167 319.3565 319.4963 319.6361 319.7759 319.9157 320.0554 320.1952 320.3349 320.4747 320.6144 320.7541 320.8938 321.0335 321.1731 321.3128 321.4524 321.5921 321.7317 321.8713 322.0109 322.1505 322.2900 322.4296 322.5692 322.7087 322.8482 322.9877 323.1272 323.2667 323.4062 323.5457 323.6851 323.8246 323.9640 324.1034 324.2428 324.3822 324.5216 324.6610 324.8003 324.9397 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20240829T121233.0Z 9007.508715 219 1 24.01 2 73.50 92.95 25.12 120.15 0.00 1 0.00 1 0 17 3.443e-01 3.721e-02 3.123e-01 2.821e-02 4.334320e-01 1.504943e-02 5.653670e-03 -6.000000e+00 2.031669e-01 230.52 -2.00 3.55 -2.00 319.87 0.00e+00 6.866093e-03 4.711358e-03 3.916833e-03 -6.000000e+00 1.116402e-02 286.75 -2.00 20.00 -2.00 319.14 0.00e+00 3.464 0.001 302.00 328.00 3 6.2186e+00 4.4068e-02 4.6936e-02 -6.0000e+00 5.1399e-01 1.6867e-01 5.3793e-02 4.1567e-02 -6.0000e+00 5.6093e-01 -4.1947e-02 4.6159e-02 1.1478e-02 -6.0000e+00 3.2312e-01 1.6016e-02 2.3840e-02 1.0455e-02 -6.0000e+00 1.3863e-01 1.8929e-05 -8.7144e-04 8.3172e-04 6.3446e-05 -6.0000e+00 9.4678e-03 -2.6943e-03 0.0000e+00 12 8 8 10 0 0 91.65 17.50 1.24 -0.00269 -0.00924 6 6 2 8 0 4000.000 15.00 17.50 25.58 20.35 19.85 23.8 973.41 -75574 900000 44075 900000 900000 900000 900000 900000 900000 900000 900000 900000 -32966 900000 139539 55667 900000 133310 62976 163539 900000 59640 5792 15098 83904 -53776 -8283 9809 22775 90147 49359 3864 137849 114607 27836 35180 842 -2005 19285 12708 1820 -7257 3640 -6494 10299 20146 -12461 -15432 2025 679 10017 12586 -6068 -12440 -2868 -3013 -3061 10888 52984 -19806 -4575 16571 -8413 -739 -4396 -7076 673 -611 5437 -5838 2088 4646 104 2835 8905 1623 13024 336 6841 -1280 -9252 6848 -5558 -6504 -906 8207 3079 385 256 -1654 4116 -1436 3869 -2482 1774 -7774 4134 -1110 2091 226 3580 3763 1480 -2552 3793 -241 732 1922 -5052 1099 918 957 -6014 -1736 -2688 2318 -3650 945 -1824 304 4205 -895 45 -728 3770 -4139 769 -1525 3078 -1052 3974 -21 655 -2081 -581 2726 -3153 4017 799 2344 310 -3240 -2228 -2451 900000 1209 900000 900000 900000 900000 900000 900000 900000 900000 900000 -1244 900000 3829 1626 900000 3658 2174 4488 900000 2270 368 919 2840 -6797 -703 673 1351 2886 2621 358 4035 4612 2363 2709 96 -270 2514 2114 366 -1690 799 -1631 2278 4129 -3461 -4427 509 176 2551 3432 -2069 -4841 -1061 -1135 -1179 3753 11676 -8663 -1824 5812 -4093 -370 -2376 -3707 318 -289 2545 -3408 1254 2851 67 1695 4788 839 5450 154 3109 -732 -6386 4674 -4534 -5587 -785 6974 2898 385 259 -1652 3699 -1252 2966 -1973 1451 -7673 4104 -1319 2621 287 4134 4085 1494 -2687 4091 -286 872 2396 -7184 1597 1451 1570 -10396 -2720 -3935 3115 -5017 1332 -2733 474 6384 -1391 67 -1087 5095 -5803 974 -1981 4186 -1633 6300 -35 1122 -3801 -1115 5343 -6694 8097 1677 4676 600 -6196 -4188 SS 20240829T122437.8Z 9007.517105 226 1 45.87 2 71.30 95.06 23.30 124.74 0.00 1 0.00 1 0 25 5.562e-02 6.413e-03 7.055e-02 4.429e-03 4.068514e-01 2.250428e-03 4.774883e-03 -6.000000e+00 3.153766e-02 230.52 -2.00 3.55 -2.00 319.74 0.00e+00 3.676216e-04 6.600070e-04 2.729538e-04 -6.000000e+00 1.399759e-03 286.75 -2.00 20.00 -2.00 318.98 0.00e+00 3.080 0.001 302.00 328.00 3 4.2190e+00 6.5277e-03 3.7198e-02 -6.0000e+00 7.8814e-02 -8.6894e-03 7.7968e-03 2.1816e-02 -6.0000e+00 8.5384e-02 1.6839e-02 6.2373e-03 1.0665e-02 -6.0000e+00 5.0869e-02 -1.3253e-02 3.2476e-03 3.0757e-03 -6.0000e+00 2.1666e-02 2.3482e-04 -1.8105e-04 1.2688e-04 3.0724e-05 -6.0000e+00 1.4179e-03 2.2792e-03 0.0000e+00 11 8 0 10 0 0 99.99 17.50 0.39 0.00228 0.00092 67 21 1 8 0 684.640 15.00 17.50 25.90 20.35 19.85 23.8 975.60 -21635 -7681 -9546 3378 -2969 3611 9436 -2201 -6138 27042 11950 7204 -26735 3884 6219 -12361 2368 10531 20944 -12269 17454 12464 -3643 3860 6648 -9586 -176 -3678 -3671 -571 6938 -3179 4249 -395 -476 -3111 -3161 378 1212 1082 -2514 -1218 -1828 -1264 -361 -132 -2713 -3663 -72 -4634 1245 1835 2748 -260 290 1206 660 1199 1160 -1562 218 472 1348 2669 819 -157 -959 -447 1129 306 1207 699 -278 938 119 301 -244 261 -1450 -440 -2497 -124 -1701 -1687 -1229 -166 440 50 866 266 1035 456 853 421 694 -502 587 1001 67 266 14 -608 -512 -47 -894 -929 -824 -360 -499 -289 372 981 -687 -159 -13 69 5 -145 35 71 -241 -503 432 110 851 -186 241 748 626 443 59 22 -234 -181 -176 79 -364 545 238 -301 323 -702 -115 -423 -150 -204 66 -54 59 158 -47 -156 540 281 185 -1066 137 256 -713 128 559 1069 -920 1007 750 -266 284 510 -916 -16 -325 -303 -46 578 -329 459 -48 -55 -353 -396 53 207 223 -604 -306 -483 -339 -96 -35 -747 -1013 -19 -1331 365 588 935 -98 114 485 275 499 471 -642 90 211 662 1426 460 -83 -486 -223 591 186 765 468 -188 637 76 171 -127 129 -777 -270 -1789 -98 -1397 -1449 -1127 -162 451 53 922 275 982 400 734 355 628 -490 639 1229 89 352 18 -698 -539 -50 -1054 -1157 -1073 -494 -729 -434 599 1626 -1133 -246 -20 97 8 -214 55 113 -390 -841 698 172 1248 -264 325 1010 928 717 102 37 -416 -336 -349 165 -781 1188 526 -645 656 -1381 -218 SS 20240829T124241.2Z 9007.529643 236 1 27.38 2 68.02 98.29 20.80 132.74 0.00 1 0.00 1 0 25 2.448e-02 5.257e-03 6.368e-03 8.885e-04 3.529280e-01 4.469825e-04 4.211860e-03 -6.000000e+00 1.388270e-02 230.52 -2.00 3.55 -2.00 318.75 0.00e+00 4.859994e-04 9.674335e-05 1.167079e-04 -6.000000e+00 6.161598e-04 286.75 -2.00 20.00 -2.00 317.95 0.00e+00 2.649 0.000 302.00 328.00 3 1.6741e+00 1.2303e-03 3.2048e-02 -6.0000e+00 3.4693e-02 -1.5493e-02 1.4136e-03 1.8731e-02 -6.0000e+00 3.7585e-02 -7.8533e-03 9.6832e-04 9.1346e-03 -6.0000e+00 2.2392e-02 -1.1561e-03 5.0693e-04 2.5783e-03 -6.0000e+00 9.5374e-03 4.8889e-03 -1.9155e-04 2.4860e-05 2.5899e-05 -6.0000e+00 6.2415e-04 2.1248e-03 0.0000e+00 12 1 1 12 1 1 99.92 17.49 0.32 0.00212 0.00069 224 118 2 8 0 120.070 15.00 17.49 26.48 20.35 19.85 23.8 978.10 -7496 -3888 -5764 -6037 -3345 -14337 -10517 -8011 -3960 -5534 -6486 -8247 -3503 -4820 217 -1043 32 -192 311 207 1612 -888 -653 829 -515 -1144 -936 -1113 -2739 -414 391 561 1656 -378 -2238 -3205 -2681 -2212 -568 -877 -388 -857 43 -455 19 55 -202 -329 -836 -16 664 1048 641 1045 953 1333 768 837 96 722 665 1425 1507 2052 689 14 168 -537 517 450 319 430 268 479 202 -50 -179 -873 -305 -801 -1210 -671 -2175 -1465 -1277 -541 -221 -76 478 498 471 475 234 571 618 71 425 642 280 -286 -167 -710 -582 -198 -599 -905 -734 -793 -409 178 196 148 65 180 -159 278 198 283 19 62 -293 -85 167 174 617 403 450 879 786 287 407 21 -78 -1 -91 -34 -139 183 -117 -164 -197 -401 -360 -303 -172 -275 -279 -132 -600 -452 -378 -203 -314 -371 -492 -230 -380 19 -107 3 -22 37 26 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