File name: Pandora206s1_BuffaloNY_20231106_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T065331.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 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_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20231106_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: 20231106 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 20231106T144040.4Z 8710.611579 293 1 27.59 2 66.99 143.71 40.81 239.80 0.00 1 0.00 1 0 17 5.201e-02 6.920e-03 2.808e-02 4.368e-03 3.206408e-01 2.127081e-03 3.891664e-03 -6.000000e+00 2.867119e-02 223.53 -2.00 3.55 -2.00 318.53 0.00e+00 1.019058e-03 4.317263e-04 1.143141e-04 -6.000000e+00 1.266210e-03 278.88 -2.00 20.00 -2.00 317.86 0.00e+00 2.538 0.000 302.00 328.00 3 5.5504e+00 5.7396e-03 2.9692e-02 -6.0000e+00 7.0680e-02 -7.2371e-03 6.5744e-03 1.6575e-02 -6.0000e+00 7.7127e-02 7.9324e-03 4.4898e-03 8.2506e-03 -6.0000e+00 4.5982e-02 -8.7093e-03 2.3672e-03 2.5647e-03 -6.0000e+00 1.9684e-02 1.1845e-04 -1.8673e-05 1.2227e-04 2.6074e-05 -6.0000e+00 1.3242e-03 -1.6877e-02 1.4785e-04 11 8 0 10 0 0 99.04 18.07 0.44 -0.01688 -0.01702 12 12 4 8 0 2299.020 15.00 18.07 14.81 21.58 21.48 19.1 942.81 -9752 33481 12898 -559 -4247 9749 -35397 6714 -16061 8605 -501 -428 -6365 816 -238 -3809 2991 995 -85 -3050 2847 -3183 2742 -1314 1431 1279 566 -1973 818 1063 18616 -1731 -438 773 -3235 -3645 -1228 550 -128 483 -524 -1381 -486 -1334 -142 -885 -859 -3228 45 -915 494 199 1321 878 868 350 224 337 -178 2627 -390 1098 1355 2522 -321 110 -349 -72 -471 648 611 573 523 1571 463 -816 -1050 -399 -1140 -829 -340 -195 -1628 -1442 -391 -123 103 -1199 356 288 104 610 116 539 414 486 592 606 228 158 -48 -52 -980 -494 -319 -1412 -695 -530 -195 -95 334 155 -70 -71 323 -15 -836 -81 89 92 -500 257 349 420 728 18 288 1472 793 -23 791 174 -136 -202 -23 -311 -63 -168 43 -49 -13 -432 -249 -511 1273 631 -30 -205 392 -2390 334 -1130 508 -32 -28 -515 72 -25 -468 363 130 -12 -454 409 -479 399 -214 238 224 101 -341 128 165 2763 -332 -92 169 -679 -745 -271 138 -39 169 -204 -567 -206 -577 -61 -384 -368 -1395 19 -387 221 97 674 463 476 197 129 193 -100 1474 -225 675 913 1762 -232 76 -227 -46 -320 484 502 491 448 1277 353 -582 -706 -255 -751 -624 -279 -178 -1565 -1443 -417 -136 120 -1412 428 333 115 612 111 502 415 526 694 773 312 212 -60 -61 -1127 -566 -401 -1829 -936 -752 -282 -144 538 254 -112 -108 466 -21 -1150 -116 133 146 -786 404 536 617 1041 25 388 1984 1135 -35 1256 287 -223 -346 -41 -582 -117 -322 83 -93 -23 -784 -441 SS 20231106T154806.6Z 8710.658410 324 1 6.18 2 61.23 160.56 52.15 255.25 0.00 1 0.00 1 0 17 1.526e-02 7.118e-03 1.765e-02 5.345e-03 2.632972e-01 2.602669e-03 3.251143e-03 -6.000000e+00 8.400802e-03 223.52 -2.00 3.55 -2.00 317.41 0.00e+00 1.163411e-03 3.860991e-04 1.120328e-04 -6.000000e+00 3.715338e-04 278.88 -2.00 20.00 -2.00 316.74 0.00e+00 2.068 0.000 302.00 328.00 3 4.9596e+00 6.8348e-03 2.4247e-02 -6.0000e+00 2.0709e-02 -1.3519e-02 7.7279e-03 1.3613e-02 -6.0000e+00 2.2608e-02 6.7820e-03 4.7322e-03 6.7409e-03 -6.0000e+00 1.3479e-02 -4.6726e-03 2.3804e-03 2.0837e-03 -6.0000e+00 5.7631e-03 3.6467e-04 -1.4156e-03 1.4732e-04 2.1733e-05 -6.0000e+00 3.8885e-04 -1.3121e-02 -9.1859e-05 12 9 1 12 1 1 98.81 18.07 0.56 -0.01312 -0.02376 3 17 2 8 0 1543.320 14.99 18.07 16.55 21.58 21.48 19.1 953.10 1396 2462 -5755 2073 -5051 -1603 -7048 -1913 -490 -3665 -1562 -1577 164 -5001 490 -517 2114 619 1668 2243 547 -1003 -779 -1229 549 -59 -1431 1309 -2049 559 2561 3221 1488 3537 -1998 -3239 -3586 -572 -651 -1599 -964 -499 158 -69 -126 -409 209 -859 -635 -1045 2489 332 681 919 350 96 1043 146 408 823 894 1665 622 1409 74 -227 -235 -262 -367 85 525 578 309 1042 1153 -435 -932 -262 -165 -768 -566 -878 -1916 -1793 -1366 -793 264 236 616 1072 -497 -244 -479 3173 688 -347 613 -322 74 -161 -234 -1279 -1035 176 154 -718 -394 -724 25 -539 59 115 197 24 -101 663 14 182 -439 84 -245 267 -67 679 237 285 669 745 1018 -98 102 635 291 317 371 -227 -342 517 -267 -487 165 -838 -663 138 266 -700 219 -498 -150 -740 -206 -58 -479 -201 -207 23 -866 93 -107 444 137 382 530 134 -245 -194 -327 150 -17 -419 349 -537 141 683 919 459 1116 -612 -1001 -1192 -213 -285 -811 -518 -278 90 -40 -73 -238 119 -482 -349 -577 1410 201 434 620 239 66 733 103 288 573 627 1252 503 1187 63 -181 -179 -194 -289 72 480 551 295 949 998 -350 -717 -190 -125 -635 -513 -865 -1990 -1894 -1512 -918 318 289 754 1282 -568 -265 -488 3081 712 -385 734 -416 100 -211 -300 -1558 -1202 210 193 -936 -534 -1015 36 -814 92 178 298 36 -138 882 18 249 -626 125 -372 398 -100 981 332 390 881 966 1391 -142 153 970 445 503 603 -383 -592 911 -468 -844 280 -1382 -1085 SS 20231106T155407.1Z 8710.662582 326 1 46.31 2 60.88 162.16 53.21 256.43 0.00 1 0.00 1 0 17 1.028e-02 5.429e-03 8.086e-04 2.551e-04 2.626518e-01 1.243750e-04 3.211804e-03 -6.000000e+00 5.666923e-03 223.52 -2.00 3.55 -2.00 317.39 0.00e+00 4.860646e-04 1.839154e-05 6.192428e-05 -6.000000e+00 2.503115e-04 278.88 -2.00 20.00 -2.00 316.71 0.00e+00 2.045 0.000 302.00 328.00 3 1.2411e+00 3.2639e-04 2.4001e-02 -6.0000e+00 1.3970e-02 -2.8099e-02 3.6924e-04 1.3420e-02 -6.0000e+00 1.5245e-02 -1.3785e-03 2.2462e-04 6.6891e-03 -6.0000e+00 9.0887e-03 -1.0490e-03 1.1205e-04 1.9556e-03 -6.0000e+00 3.8903e-03 1.5568e-02 -4.2775e-05 7.0409e-06 2.0738e-05 -6.0000e+00 2.6178e-04 -1.6497e-02 1.3026e-04 10 0 0 10 0 0 99.26 18.07 0.28 -0.01650 -0.01682 1336 413 2 8 0 34.300 15.00 18.07 16.78 21.58 21.48 19.4 956.82 -2068 -1986 -1480 -3346 -4094 -3189 -1869 -943 -380 -1414 -3221 -3068 -2076 -1509 49 -165 -265 170 550 977 532 268 800 709 187 555 38 -389 -1139 335 1033 893 1581 -266 -2339 -2252 -1984 -1349 -341 -171 -598 -583 -406 -521 -76 -196 -181 -141 -557 -20 841 682 902 1062 703 981 797 591 548 460 941 1189 1497 1684 404 -56 -277 -653 321 418 336 227 158 354 127 -97 -322 -678 -277 -619 -917 -977 -2008 -1612 -1215 -778 -446 -145 274 205 417 323 148 381 518 204 461 692 135 -248 -179 -613 -682 -56 -643 -820 -720 -602 -291 177 333 227 192 119 -74 140 100 258 113 76 -257 24 263 235 659 458 611 1041 663 422 297 87 -194 108 -7 -81 -100 115 -155 -309 -203 -421 -529 -226 -239 -183 -396 -424 -312 -192 -107 -48 -194 -439 -423 -322 -267 10 -37 -62 37 125 230 128 64 193 183 51 157 11 -105 -312 89 293 273 477 -86 -705 -721 -635 -496 -150 -89 -313 -318 -228 -297 -43 -111 -101 -77 -298 -11 471 412 573 714 490 693 577 427 387 322 676 920 1162 1404 340 -44 -216 -498 257 354 313 221 154 331 110 -82 -247 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