File name: Pandora206s1_BuffaloNY_20220823_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T041355.8Z 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_20220823_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: 20220823 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 20220823T124000.3Z 8270.527781 189 1 29.94 2 67.31 95.66 27.76 118.08 0.00 1 0.00 1 0 17 1.928e-02 4.910e-03 3.898e-03 5.720e-04 3.497932e-01 2.854791e-04 4.132114e-03 -6.000000e+00 1.090802e-02 231.15 -2.00 3.55 -2.00 318.70 0.00e+00 5.083225e-04 6.109938e-05 1.245307e-04 -6.000000e+00 4.860366e-04 287.32 -2.00 20.00 -2.00 317.87 0.00e+00 2.571 0.000 302.00 328.00 3 1.5044e+00 7.8691e-04 3.1344e-02 -6.0000e+00 2.7293e-02 5.7897e-03 9.0374e-04 1.8523e-02 -6.0000e+00 2.9598e-02 -5.3911e-03 6.1013e-04 8.9876e-03 -6.0000e+00 1.7628e-02 -3.3954e-03 3.1768e-04 2.5091e-03 -6.0000e+00 7.4637e-03 6.1864e-03 1.0611e-06 1.5908e-05 2.4586e-05 -6.0000e+00 4.9225e-04 -1.8349e-03 2.8446e-05 10 0 0 10 0 0 99.84 18.58 0.31 -0.00183 -0.00183 671 671 1 8 0 44.610 14.99 18.58 27.34 21.98 21.98 11.9 982.63 -5069 -5386 -4242 -7967 -8674 -7379 -6698 -5644 -2736 -3945 -5968 -4222 -3473 -1268 -1539 -341 -569 51 131 706 -202 -225 248 -330 -248 -302 -159 -1573 -1574 -57 624 621 1437 -946 -2802 -2826 -2128 -1401 -536 -327 -850 -565 -422 -503 -100 -232 -576 -275 -781 32 665 771 883 1108 718 979 900 444 482 434 992 1188 1809 1715 367 134 -271 -396 535 561 539 397 335 458 35 14 -596 -710 -418 -754 -960 -966 -1975 -1398 -940 -523 -207 75 493 357 572 360 176 194 414 140 570 629 69 -266 -299 -633 -655 0 -844 -791 -703 -514 -255 152 329 240 198 52 -131 113 106 193 23 -17 -313 -7 222 209 665 294 581 902 485 380 155 62 -275 86 11 -144 -25 197 -127 -138 -118 -307 -441 -220 -260 -211 -384 -371 -306 -299 -282 -150 -233 -356 -261 -250 -105 -150 -37 -65 6 17 93 -27 -30 34 -50 -39 -50 -27 -250 -234 -8 102 112 286 -200 -554 -554 -464 -356 -164 -107 -307 -213 -165 -199 -39 -92 -226 -107 -303 13 281 353 430 575 387 539 508 250 265 237 559 727 1211 1244 269 91 -175 -253 368 407 427 327 273 356 28 10 -384 -444 -282 -588 -777 -872 -1921 -1415 -1022 -560 -232 86 566 391 622 360 163 178 413 156 660 816 95 -356 -375 -727 -765 -1 -1046 -1026 -957 -736 -386 230 530 393 312 76 -191 157 148 283 34 -27 -491 -11 330 320 961 408 765 1219 720 607 245 101 -462 150 21 -265 -48 377 -244 -255 -223 -560 -789 SS 20220823T124642.8Z 8270.532440 192 1 29.46 2 66.09 96.86 26.72 120.34 0.00 1 0.00 1 0 17 2.951e-02 6.223e-03 2.514e-02 3.696e-03 3.365295e-01 1.850785e-03 3.992049e-03 -6.000000e+00 1.669684e-02 231.15 -2.00 3.55 -2.00 318.69 0.00e+00 -3.945805e-04 3.930967e-04 2.034200e-04 -6.000000e+00 7.439890e-04 287.32 -2.00 20.00 -2.00 317.85 0.00e+00 2.450 0.000 302.00 328.00 3 5.0598e+00 5.0962e-03 2.9998e-02 -6.0000e+00 4.1777e-02 3.7621e-02 5.8534e-03 1.7904e-02 -6.0000e+00 4.5307e-02 7.0639e-03 3.9538e-03 8.6568e-03 -6.0000e+00 2.6984e-02 -9.3595e-03 2.0612e-03 2.3957e-03 -6.0000e+00 1.1424e-02 1.9796e-04 -2.6784e-04 1.0384e-04 2.4395e-05 -6.0000e+00 7.5362e-04 -2.1293e-03 -8.0230e-06 10 0 0 10 0 0 99.96 18.58 0.40 -0.00213 -0.00414 32 32 1 8 0 920.530 15.00 18.58 27.85 21.98 21.98 12.1 987.63 -7786 -7575 -7028 2709 4707 -13805 8926 -10216 -3683 162 18319 -2596 -5405 -1820 -2944 904 2514 3792 -3010 -1647 4988 2174 842 1623 884 1421 -1515 118 -5928 -1193 2599 178 2572 -1981 -998 -4146 606 -2095 971 -1406 -316 -2294 152 -1290 183 284 -1993 -851 -940 -198 -152 1537 -34 1832 -29 1793 291 161 133 -569 882 1302 2548 1772 -165 -95 -916 -838 332 74 629 1072 1005 689 1014 -212 -817 -653 -546 -800 -1507 -459 -2061 -589 -1090 -108 -186 211 300 292 825 761 791 -859 410 -304 869 590 462 -292 -724 -900 -715 -86 -1011 -1123 -849 271 -504 440 395 655 117 -97 -670 270 -328 357 120 93 -207 198 281 -118 755 79 312 163 702 155 175 39 -242 -143 -118 -2 97 453 -14 294 -658 72 -704 -356 -382 -366 124 185 -643 361 -568 -217 10 913 -167 -416 -152 -290 96 276 434 -388 -218 632 280 114 237 137 231 -254 19 -933 -181 418 32 502 -419 -192 -814 127 -511 280 -491 -119 -922 62 -535 75 116 -821 -341 -375 -80 -66 712 -17 958 -15 962 163 89 74 -318 503 775 1645 1244 -117 -62 -570 -533 219 56 502 884 822 558 754 -147 -520 -401 -360 -587 -1256 -408 -1984 -584 -1172 -119 -215 251 356 330 880 745 739 -805 397 -331 1017 776 622 -384 -920 -1081 -803 -101 -1268 -1475 -1165 376 -745 675 643 1078 187 -149 -946 368 -455 515 181 150 -335 312 431 -173 1074 108 418 217 1014 235 281 64 -410 -245 -217 -4 185 881 -27 550 -1228 128 -1235 SS 20220823T132755.4Z 8270.561057 214 1 29.70 2 58.70 104.64 20.98 137.76 0.00 1 0.00 1 0 21 2.050e-02 6.342e-03 1.468e-02 3.429e-03 2.663719e-01 1.727615e-03 3.191118e-03 -6.000000e+00 1.159884e-02 231.15 -2.00 3.55 -2.00 318.10 0.00e+00 -1.735020e-04 3.011758e-04 6.928969e-05 -6.000000e+00 5.168200e-04 287.32 -2.00 20.00 -2.00 317.24 0.00e+00 1.917 0.000 302.00 328.00 3 5.2204e+00 4.6790e-03 2.3569e-02 -6.0000e+00 2.9021e-02 1.5357e-02 5.3082e-03 1.4097e-02 -6.0000e+00 3.1473e-02 1.4195e-02 3.3029e-03 6.8377e-03 -6.0000e+00 1.8744e-02 -1.2516e-02 1.6618e-03 1.8725e-03 -6.0000e+00 7.9363e-03 3.1470e-04 -4.1891e-08 9.7540e-05 1.9317e-05 -6.0000e+00 5.2346e-04 -1.9982e-03 1.5945e-05 10 0 0 10 0 0 99.92 18.58 0.10 -0.00200 -0.00200 82 82 1 8 0 362.140 15.00 18.58 28.86 21.98 21.98 11.9 990.27 -10857 3718 -3220 -3922 5500 -7754 4172 -4041 5142 -805 7272 -3755 4778 -1103 2216 -870 1182 -30 -1608 1335 -312 1598 -341 2913 -541 1336 -1670 4102 -2692 974 1418 2005 3481 -1599 -4650 -2312 1693 -3046 159 -1680 -1149 -1714 122 -1890 -185 -971 -951 -745 -1391 270 671 1411 -447 1680 284 1424 -1 872 302 691 877 1348 772 1373 1085 -613 -593 -751 1502 170 677 61 516 427 940 -642 -337 -232 -113 -580 -1370 -588 -2358 -611 -1513 -16 -312 474 268 673 206 425 989 103 -80 70 870 562 377 -506 101 -502 -582 -823 -569 -834 -684 -381 -369 402 491 436 -43 115 -961 150 -474 96 99 207 -156 -159 193 -17 987 -186 660 357 780 458 378 -479 -43 -204 506 -103 17 233 -106 176 -333 -147 -706 -914 295 -281 -330 368 -578 298 -353 461 -81 657 -390 519 -146 324 -140 193 -5 -293 254 -61 303 -68 604 -122 308 -397 853 -553 192 300 452 848 -421 -1150 -552 433 -954 59 -714 -527 -821 59 -940 -90 -476 -472 -359 -663 127 337 755 -248 968 171 862 -1 538 189 429 564 900 564 1065 830 -433 -406 -504 1061 135 583 55 458 364 737 -472 -223 -147 -76 -446 -1150 -541 -2345 -623 -1681 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