File name: Pandora206s1_BuffaloNY_20221201_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T044055.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- 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_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20221201_L1_smca1c4d20220512p1-8.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: 20221201 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]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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 20221201T142214.0Z 8370.598774 107 1 1.49 2 74.80 141.35 134.45 48.37 0.00 1 0.00 1 0 25 1.088e-01 6.014e-03 8.548e-02 3.872e-03 4.981653e-01 1.912231e-03 5.808626e-03 -6.000000e+00 5.948915e-02 222.51 -2.00 3.55 -2.00 319.95 0.00e+00 4.504048e-04 6.066587e-04 3.829081e-04 -6.000000e+00 2.613702e-03 275.95 -2.00 20.00 -2.00 319.38 0.00e+00 3.742 0.001 302.00 328.00 3 9.4353e-01 5.4882e-03 4.4401e-02 -6.0000e+00 1.4644e-01 2.2062e-02 6.6698e-03 2.5698e-02 -6.0000e+00 1.6027e-01 -1.6201e-02 6.0096e-03 1.2968e-02 -6.0000e+00 9.5465e-02 -1.4696e-03 3.1319e-03 3.8670e-03 -6.0000e+00 4.0641e-02 3.0568e-03 -3.9204e-04 1.0618e-04 4.0202e-05 -6.0000e+00 2.7752e-03 1.1198e-02 -8.5738e-05 12 1 1 12 1 1 -86.97 17.75 0.06 0.01120 0.00825 17 193 1 8 0 73.470 15.01 17.75 4.59 21.27 21.17 12.8 891.56 -16898 -46460 17127 -49233 -5871 -57861 16199 -38529 -10076 -30690 -29002 -35369 -33641 -7760 -22622 1285 -13631 4869 -6015 9319 -4885 3749 1018 4116 -3936 -3479 -1281 -5656 554 -9727 5298 -6991 2750 -4972 2236 -6343 -2724 -12419 430 -717 -130 379 -1446 627 -1071 2515 1507 830 -878 2109 -567 1801 483 2082 1266 155 1938 -146 1487 454 5187 926 3211 728 1434 -164 455 -831 456 -1963 223 580 -391 268 -324 863 -2529 -280 -1344 -676 -885 -389 -1899 -1564 -29 -275 318 630 810 569 733 87 632 -196 614 -50 390 538 250 -648 -103 -590 -630 196 -1430 -797 -630 -490 -215 246 418 483 -1 245 -420 -118 -19 -205 95 -181 -239 -155 483 85 569 253 368 596 143 293 -43 396 -16 16 -144 -8 177 146 -26 -7 -179 -424 -338 -194 -810 173 -872 -63 -1017 157 -711 -159 -642 -607 -883 -1021 -223 -886 46 -614 198 -291 407 -250 175 52 225 -250 -233 -85 -368 34 -680 370 -631 257 -521 202 -633 -297 -1778 67 -129 -26 79 -320 137 -240 553 336 189 -209 513 -157 536 157 723 463 59 749 -57 552 169 1926 382 1457 373 734 -80 217 -409 247 -1214 147 392 -261 168 -192 452 -1279 -140 -760 -430 -647 -309 -1638 -1370 -27 -273 318 644 821 566 670 77 527 -169 571 -52 457 673 330 -837 -126 -676 -674 218 -1710 -989 -824 -664 -305 374 685 790 -1 379 -625 -172 -28 -312 151 -299 -388 -250 755 127 835 357 515 855 224 489 -75 721 -29 30 -293 -16 372 313 -54 -14 -354 -820 -643 SS 20221201T142751.7Z 8370.602682 110 1 46.23 2 74.16 142.53 133.69 49.89 0.00 1 0.00 1 0 25 9.276e-02 4.887e-03 8.315e-03 4.761e-04 4.776993e-01 2.342361e-04 5.582414e-03 -6.000000e+00 5.072407e-02 222.51 -2.00 3.55 -2.00 319.90 0.00e+00 9.597480e-04 7.300451e-05 2.492819e-04 -6.000000e+00 2.228303e-03 275.95 -2.00 20.00 -2.00 319.33 0.00e+00 3.601 0.001 302.00 328.00 3 4.5215e-01 6.7194e-04 4.2658e-02 -6.0000e+00 1.2487e-01 1.8318e-02 8.0866e-04 2.4557e-02 -6.0000e+00 1.3665e-01 -1.7394e-02 7.0630e-04 1.2424e-02 -6.0000e+00 8.1396e-02 -1.4655e-03 3.6890e-04 3.8381e-03 -6.0000e+00 3.4656e-02 5.8472e-03 -1.8126e-04 1.3121e-05 3.9313e-05 -6.0000e+00 2.3657e-03 1.1322e-02 -3.9669e-05 10 0 0 10 0 0 99.79 17.75 0.28 0.01132 0.00996 1375 425 1 8 0 33.280 14.97 17.75 4.70 21.27 21.17 13.0 894.55 -32552 -30945 -25044 -28908 -39117 -33098 -36687 -29336 -24716 -23121 -30996 -21067 -18682 -10354 -8594 -5034 -5044 -3419 -3150 -3507 -2327 -3858 -3385 -3586 -2041 -3482 -2855 -4688 -5941 -3260 -1083 -631 512 -1204 -3742 -3605 -2777 -1565 -877 236 -599 -289 -276 166 541 153 194 101 -428 466 1277 655 1339 1258 1000 1001 1067 542 399 554 1198 1404 2279 2122 625 447 -59 -152 617 770 640 406 413 400 49 -262 -865 -929 -602 -922 -860 -1195 -1871 -1497 -1006 -551 -54 191 657 514 731 419 174 278 266 271 563 631 83 -172 -398 -680 -686 -273 -947 -872 -759 -544 -181 158 366 231 229 63 -61 157 16 137 -50 -189 -307 106 217 237 603 247 557 784 388 364 119 70 -275 -61 -60 -221 95 129 -70 -104 -23 -225 -302 -511 -539 -433 -486 -652 -524 -664 -564 -515 -508 -745 -512 -546 -340 -337 -220 -239 -173 -169 -198 -132 -221 -205 -238 -142 -260 -213 -336 -415 -237 -89 -59 54 -133 -392 -382 -330 -218 -149 47 -121 -61 -61 37 121 35 49 26 -112 115 348 197 430 436 363 375 410 207 148 203 458 590 1065 1092 328 220 -28 -75 334 481 434 285 284 260 29 -139 -431 -465 -337 -605 -645 -928 -1564 -1311 -945 -550 -56 203 690 512 669 357 141 231 246 285 672 786 110 -221 -473 -794 -748 -312 -1186 -1051 -966 -736 -263 252 584 378 363 102 -92 224 23 211 -83 -302 -486 175 346 361 875 345 746 1107 613 585 205 126 -515 -120 -117 -454 197 274 -148 -210 -48 -441 -583 SS 20221201T143444.1Z 8370.607455 113 1 45.80 2 73.41 144.00 132.73 51.71 0.00 1 0.00 1 0 25 2.720e-01 9.037e-03 2.166e-01 7.712e-03 4.532930e-01 3.860809e-03 5.302173e-03 -6.000000e+00 1.487091e-01 222.51 -2.00 3.55 -2.00 320.26 0.00e+00 4.189037e-03 1.304993e-03 6.103441e-04 -6.000000e+00 6.572003e-03 275.94 -2.00 20.00 -2.00 319.70 0.00e+00 3.448 0.001 302.00 328.00 3 4.4954e+00 1.1320e-02 4.1174e-02 -6.0000e+00 3.6606e-01 3.0222e-02 1.3776e-02 2.4995e-02 -6.0000e+00 4.0071e-01 4.0680e-03 1.2354e-02 1.2078e-02 -6.0000e+00 2.3878e-01 -4.9464e-03 6.4012e-03 5.8566e-03 -6.0000e+00 1.0245e-01 1.1804e-04 -4.7126e-04 2.2204e-04 4.9538e-05 -6.0000e+00 6.9727e-03 1.1515e-02 -8.9636e-05 11 8 0 10 0 0 99.98 17.75 1.16 0.01151 0.00797 287 89 1 8 0 159.580 15.00 17.75 5.30 21.27 21.17 13.1 899.06 900000 -98080 253868 1708 36813 16012 44368 1092 -19148 -3523 -22328 115923 -25512 41308 -25505 19933 -21184 10311 -29423 -33270 5162 -961 -5828 1039 4727 -7610 8536 -2284 13171 -16209 18170 12790 4834 -2429 2732 -17232 4719 -8410 -2076 2828 -2579 4375 -4808 5593 -4904 3060 -7497 1386 1847 2410 1141 2627 2521 514 6969 3047 4598 -2311 -332 -2041 1859 -1219 2853 1083 1818 564 559 430 -520 1283 -183 -1271 690 3585 2783 1735 -2749 1898 -1003 -177 -1068 -450 -1949 -1337 -1228 -1361 273 -669 176 -621 786 -562 3008 -695 -506 518 907 546 3 105 -299 222 -1159 566 -1524 -583 -1497 -173 413 -130 634 115 -220 -725 -251 373 -139 -168 -185 -534 149 643 267 -320 944 232 1053 246 1184 400 178 477 -434 277 -439 129 19 10 14 -29 133 -542 -535 900000 -3078 1909 21 290 155 350 15 -357 -59 -456 872 -715 769 -1081 620 -1079 416 -1799 -2219 249 -49 -325 58 267 -510 490 -139 666 -1186 1093 922 430 -240 236 -1838 455 -1042 -295 450 -474 791 -1000 1066 -1052 618 -1691 290 391 531 281 696 718 160 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