File name: Pandora206s1_BuffaloNY_20230918_L2Fit_fout2c1d20220512p1-8.txt File generation date: 20240123T211752.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v1d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230918_L1_smca1c1d20220512p1-8.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: 20230918 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]: 305.0398 305.1808 305.3218 305.4628 305.6038 305.7447 305.8857 306.0266 306.1675 306.3084 306.4493 306.5902 306.7311 306.8720 307.0128 307.1537 307.2945 307.4353 307.5761 307.7169 307.8577 307.9985 308.1393 308.2800 308.4207 308.5615 308.7022 308.8429 308.9836 309.1243 309.2649 309.4056 309.5462 309.6869 309.8275 309.9681 310.1087 310.2493 310.3899 310.5305 310.6710 310.8116 310.9521 311.0926 311.2331 311.3736 311.5141 311.6546 311.7950 311.9355 312.0759 312.2164 312.3568 312.4972 312.6376 312.7779 312.9183 313.0587 313.1990 313.3394 313.4797 313.6200 313.7603 313.9006 314.0408 314.1811 314.3214 314.4616 314.6018 314.7421 314.8823 315.0225 315.1626 315.3028 315.4430 315.5831 315.7232 315.8634 316.0035 316.1436 316.2837 316.4238 316.5638 316.7039 316.8439 316.9839 317.1240 317.2640 317.4040 317.5439 317.6839 317.8239 317.9638 318.1038 318.2437 318.3836 318.5235 318.6634 318.8033 318.9431 319.0830 319.2228 319.3627 319.5025 319.6423 319.7821 319.9219 320.0616 320.2014 320.3412 320.4809 320.6206 320.7603 320.9000 321.0397 321.1794 321.3191 321.4587 321.5984 321.7380 321.8776 322.0172 322.1568 322.2964 322.4360 322.5755 322.7151 322.8546 322.9941 323.1336 323.2731 323.4126 323.5521 323.6916 323.8310 323.9705 324.1099 324.2493 324.3887 324.5281 324.6675 324.8069 324.9462 --------------------------------------------------------------------------------------- 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 20230918T121603.0Z 8661.511145 67 1 27.33 2 76.61 100.18 113.75 87.31 0.00 1 0.00 1 0 25 2.344e-01 7.204e-03 2.219e-01 4.954e-03 5.754921e-01 2.578080e-03 6.621994e-03 -6.000000e+00 1.320051e-01 228.73 -2.00 3.55 -2.00 320.67 0.00e+00 1.290379e-03 1.068178e-03 1.103390e-03 -6.000000e+00 6.023858e-03 285.05 -2.00 20.00 -2.00 320.03 0.00e+00 4.212 0.001 302.00 328.00 3 3.4020e+00 8.1832e-03 5.1800e-02 -6.0000e+00 3.2846e-01 8.0694e-03 1.0720e-02 3.2382e-02 -6.0000e+00 3.5663e-01 -2.5850e-02 1.0339e-02 1.5653e-02 -6.0000e+00 2.1261e-01 2.3727e-03 5.1038e-03 5.4778e-03 -6.0000e+00 9.1245e-02 1.5285e-04 -8.7913e-05 1.3648e-04 4.9784e-05 -6.0000e+00 6.0669e-03 3.9985e-03 -3.5303e-05 11 8 0 10 0 0 99.62 18.40 0.39 0.00400 0.00334 23 23 4 8 0 1188.260 14.99 18.40 23.08 21.79 21.79 19.0 968.65 -127587 900000 13252 -72939 900000 -46618 118398 -55201 36313 -110962 49891 -77234 -52647 -39410 12264 -38309 23170 20918 -17491 -8926 2443 21103 -13475 7165 -16591 -18343 -14930 -14525 -26076 3177 -8278 -8208 2584 10858 8499 -9424 9856 -2971 4186 -2852 -5520 -2338 1530 -1775 1520 -550 -2190 -6001 -2653 -59 -1102 3430 -352 5077 -415 3385 -577 3594 4455 -778 1482 866 2384 1780 164 468 720 -1327 2194 2015 1957 -214 1126 723 1345 -247 -23 -144 -1695 -189 -4509 190 -2934 -1122 -1458 -394 205 481 123 678 726 1099 475 -799 823 -63 964 495 679 -309 846 -640 -361 -921 -510 -1415 -647 -68 -838 347 69 150 -466 117 167 584 -187 -162 -350 -262 -678 47 201 -313 1202 223 638 604 785 347 438 71 109 -100 111 -192 -225 298 -528 -63 -250 383 -366 -1463 900000 64 -658 900000 -285 572 -462 175 -1943 241 -1169 -780 -647 150 -879 343 350 -467 -233 59 421 -399 191 -609 -732 -596 -557 -1075 103 -357 -415 136 577 438 -567 546 -207 336 -300 -675 -296 197 -243 203 -77 -315 -918 -408 -9 -196 651 -76 1129 -104 846 -156 931 1111 -201 385 249 763 646 63 173 259 -497 865 928 1001 -110 605 370 627 -104 -9 -56 -739 -96 -2784 120 -2099 -830 -1162 -333 181 437 113 594 588 825 341 -588 662 -58 1023 571 852 -388 984 -683 -370 -962 -579 -1612 -770 -86 -1157 499 109 249 -775 185 248 863 -281 -240 -556 -437 -1128 75 311 -494 1781 322 878 860 1255 588 807 132 212 -204 245 -425 -507 682 -1221 -140 -548 791 -736 SS 20230918T131742.8Z 8661.553968 92 1 27.28 2 65.79 111.80 103.03 97.57 0.00 1 0.00 1 0 25 2.742e-02 5.822e-03 2.087e-02 2.948e-03 3.451950e-01 1.469501e-03 4.130975e-03 -6.000000e+00 1.542317e-02 228.72 -2.00 3.55 -2.00 318.73 0.00e+00 4.339765e-04 3.164980e-04 1.140799e-04 -6.000000e+00 6.848926e-04 285.05 -2.00 20.00 -2.00 317.96 0.00e+00 2.421 0.000 302.00 328.00 3 4.4574e+00 4.0324e-03 2.9915e-02 -6.0000e+00 3.8397e-02 4.0530e-03 4.6332e-03 1.8166e-02 -6.0000e+00 4.1687e-02 3.6689e-03 3.1800e-03 8.9133e-03 -6.0000e+00 2.4845e-02 -7.9509e-03 1.6657e-03 2.5370e-03 -6.0000e+00 1.0588e-02 3.7275e-04 -1.6605e-05 8.2204e-05 2.5944e-05 -6.0000e+00 6.9876e-04 4.2795e-03 -4.4816e-05 10 0 0 10 0 0 99.88 18.40 0.42 0.00428 0.00415 32 32 2 8 0 852.470 15.00 18.40 23.88 21.79 21.79 19.0 973.33 -10918 14701 -1773 -7695 -1958 -5050 136 -6671 -296 -17569 -3129 -8831 -1354 -1238 409 -128 1416 1347 895 4137 -2100 183 -2713 -1332 -451 567 -1873 638 -1332 -51 681 633 1975 3329 -1822 -4568 -2168 -2713 394 -1077 -497 -907 13 -1207 497 -398 -1290 -2392 -638 -363 493 648 227 1741 576 1339 -49 1135 780 -156 1175 1426 1445 2148 372 -655 -219 474 660 -20 656 564 755 755 449 -122 -443 -498 328 -586 -1701 -640 -1925 -1249 -1620 -291 -323 107 486 457 690 63 537 -68 711 -106 577 781 488 -356 53 -824 -1033 -502 -513 -1027 -641 -178 -327 154 144 50 -76 461 -292 382 -137 278 -246 -158 -383 71 337 189 646 54 424 975 786 309 591 146 -85 -250 -81 55 -225 312 -152 -54 -237 -303 -494 -487 571 -85 -376 -79 -202 6 -328 -15 -1179 -181 -557 -92 -99 38 -14 156 157 110 516 -287 24 -378 -198 -70 92 -316 99 -196 -7 108 110 377 665 -355 -884 -452 -662 113 -346 -176 -338 5 -476 192 -157 -507 -937 -245 -140 203 290 108 875 305 720 -27 627 422 -84 643 841 937 1506 270 -443 -138 293 433 -15 508 457 610 585 348 -85 -281 -302 209 -432 -1441 -557 -1825 -1227 -1717 -327 -382 122 554 537 744 63 491 -61 678 -113 691 979 658 -475 66 -1015 -1181 -588 -659 -1303 -848 -247 -481 243 228 82 -119 721 -424 516 -187 393 -376 -256 -592 115 529 284 916 74 586 1354 1113 475 963 247 -139 -425 -147 104 -440 623 -289 -105 -443 -545 -863 SS 20230918T133213.8Z 8661.564049 101 1 46.27 2 63.36 114.78 100.53 99.94 0.00 1 0.00 1 0 17 1.320e-02 5.238e-03 3.136e-03 6.095e-04 3.149635e-01 3.023202e-04 3.786059e-03 -6.000000e+00 7.425139e-03 228.72 -2.00 3.55 -2.00 318.22 0.00e+00 4.485869e-04 5.623905e-05 9.361818e-05 -6.000000e+00 3.296890e-04 285.05 -2.00 20.00 -2.00 317.43 0.00e+00 2.217 0.000 302.00 328.00 3 2.2520e+00 8.1574e-04 2.7331e-02 -6.0000e+00 1.8485e-02 -1.6363e-02 9.2882e-04 1.6508e-02 -6.0000e+00 2.0069e-02 7.6244e-04 6.0034e-04 8.0878e-03 -6.0000e+00 1.1961e-02 -3.5974e-03 3.1050e-04 2.2899e-03 -6.0000e+00 5.0976e-03 4.3397e-03 3.9402e-05 1.6959e-05 2.3551e-05 -6.0000e+00 3.3637e-04 4.0139e-03 -2.7209e-05 10 0 0 10 0 0 99.98 18.40 0.35 0.00401 0.00431 442 137 2 8 0 103.740 15.00 18.40 24.52 21.79 21.79 19.3 979.06 -4477 -2243 -2085 -4613 -4340 -4732 -4357 -2459 -2151 -1268 -4868 -3596 -2018 -1481 -610 -89 -170 -293 581 1010 251 -275 107 63 -210 -148 -50 -699 -1711 192 697 -135 1527 -57 -2573 -2750 -2485 -1602 -512 -196 -819 -642 -707 -523 -32 -422 -479 -157 -679 -121 861 617 872 1090 713 1008 852 611 653 528 927 1339 1547 1841 596 47 -103 -548 358 550 331 331 326 328 243 -11 -403 -802 -246 -673 -941 -829 -1830 -1597 -1133 -796 -286 -115 370 337 536 440 295 449 481 174 402 759 136 -204 -188 -663 -755 -67 -762 -901 -770 -610 -291 131 359 237 172 35 -102 229 7 181 62 -34 -364 -28 206 226 641 511 413 977 692 418 247 116 -186 90 36 -50 -84 133 -114 -247 -205 -420 -408 -269 -148 -143 -310 -254 -266 -260 -162 -159 -100 -395 -294 -187 -159 -76 -12 -25 -45 94 169 43 -47 19 12 -42 -31 -11 -140 -320 35 137 -29 359 -14 -617 -637 -632 -469 -163 -74 -345 -282 -323 -242 -15 -196 -219 -70 -302 -54 407 316 473 629 429 617 536 385 401 321 578 897 1134 1337 443 35 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