File name: Pandora206s1_BuffaloNY_20221010_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T042126.0Z 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_20221010_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: 20221010 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 20221010T130317.4Z 8318.543951 245 1 29.96 2 73.39 116.50 100.73 291.26 0.00 1 0.00 1 0 33 9.505e-02 4.953e-03 2.919e-02 1.415e-03 4.820823e-01 7.095688e-04 5.556237e-03 -6.000000e+00 5.274928e-02 226.14 -2.00 3.55 -2.00 320.15 0.00e+00 9.625517e-04 2.417960e-04 2.545358e-04 -6.000000e+00 2.345251e-03 282.31 -2.00 20.00 -2.00 319.49 0.00e+00 3.442 0.001 302.00 328.00 3 2.0650e+00 2.1035e-03 4.1927e-02 -6.0000e+00 1.3064e-01 4.6738e-03 2.5808e-03 2.5153e-02 -6.0000e+00 1.4238e-01 1.4840e-03 2.2557e-03 1.2560e-02 -6.0000e+00 8.4895e-02 -9.1787e-03 1.1578e-03 3.8779e-03 -6.0000e+00 3.6112e-02 1.3225e-03 3.1793e-06 3.9415e-05 3.8464e-05 -6.0000e+00 2.4254e-03 5.4569e-03 2.0604e-05 10 0 0 10 0 0 99.96 17.97 0.29 0.00546 0.00548 316 316 2 8 0 94.800 15.00 17.97 18.60 21.48 21.38 12.8 945.84 -34056 -18186 -35317 -37531 -42152 -37813 -25994 -37184 -14255 -27046 -9621 -30347 -11331 -17910 -3543 -10393 -7430 -4545 -2783 -2499 -3400 -2061 -5388 708 -7498 -861 -5356 202 -4983 -674 -1859 -634 829 -1942 -4173 -3771 -2475 -1747 906 -1193 435 -1847 589 -1255 317 -535 977 -1014 -386 -323 682 1006 1088 1640 167 1733 546 1238 372 1169 942 1661 1607 2740 913 783 -420 -38 699 612 836 455 576 38 380 -478 -225 -1353 -317 -1038 -930 -1319 -2135 -1439 -1178 -342 -6 617 499 909 584 503 -84 132 54 132 548 724 281 -159 -190 -850 -731 -302 -809 -878 -788 -669 -90 250 451 228 298 103 -129 134 -111 216 -127 -247 -324 43 120 209 423 164 479 738 375 478 104 18 -304 -94 -67 -215 70 167 11 -88 70 -340 -234 -451 -233 -570 -585 -617 -532 -359 -657 -228 -530 -161 -691 -263 -544 -113 -413 -312 -201 -129 -122 -171 -102 -292 40 -486 -55 -364 12 -306 -42 -136 -52 77 -194 -394 -358 -262 -218 123 -198 78 -359 117 -257 64 -111 201 -216 -83 -73 169 273 319 516 56 589 193 430 127 392 330 637 691 1284 440 354 -187 -17 346 351 521 294 366 23 209 -236 -103 -627 -162 -626 -642 -1029 -1802 -1267 -1023 -314 -6 603 487 839 542 434 -69 110 51 128 602 898 370 -204 -228 -925 -739 -318 -935 -1061 -1002 -905 -131 398 715 371 472 167 -194 192 -163 331 -210 -393 -511 71 192 319 616 231 643 1037 589 822 177 32 -563 -183 -139 -470 156 378 25 -190 144 -666 -449 SS 20221010T131813.9Z 8318.554328 247 1 29.87 2 70.98 119.47 103.12 293.97 0.00 1 0.00 1 0 25 4.341e-02 4.965e-03 3.841e-02 2.475e-03 4.273242e-01 1.225659e-03 4.998473e-03 -6.000000e+00 2.408452e-02 226.14 -2.00 3.55 -2.00 319.65 0.00e+00 6.385549e-04 3.546078e-04 2.036227e-04 -6.000000e+00 1.070919e-03 282.31 -2.00 20.00 -2.00 318.95 0.00e+00 3.031 0.000 302.00 328.00 3 3.5841e+00 3.4882e-03 3.7008e-02 -6.0000e+00 5.9647e-02 9.0519e-03 4.1582e-03 2.2256e-02 -6.0000e+00 6.5015e-02 1.4374e-02 3.3960e-03 1.1079e-02 -6.0000e+00 3.8765e-02 -1.2935e-02 1.7823e-03 3.2811e-03 -6.0000e+00 1.6485e-02 4.5058e-04 -1.5314e-04 6.9206e-05 3.2423e-05 -6.0000e+00 1.1077e-03 6.0525e-03 -2.3788e-05 10 0 0 10 0 0 99.99 17.97 0.25 0.00605 0.00490 101 101 1 8 0 295.710 15.00 17.97 18.96 21.48 21.38 12.9 948.25 3943 -2956 -1621 -15868 -20711 -14694 -15625 -15739 -14798 -21594 -7623 1994 -8641 -8631 -7529 3643 -3895 -650 -1671 -459 -109 -921 -83 -920 -3489 2179 -2857 -4066 2376 -2020 1635 -817 -956 178 -2404 -4419 -2696 -2271 -1866 -1241 -2313 -1256 509 -981 -473 -57 -454 331 -2234 545 2696 437 -223 2057 899 1356 669 486 504 306 1039 1260 1925 1026 736 464 -955 -301 1016 -94 780 750 580 573 332 -124 -513 -525 -939 -1042 -979 -812 -1642 -1648 -768 -531 -60 22 601 951 855 -223 577 72 376 120 838 538 203 -412 -376 -668 -699 -185 -907 -646 -684 -260 -444 369 433 451 218 -100 -22 -29 -180 -3 -186 -108 -312 21 116 227 802 -190 252 1029 253 255 171 177 -231 -154 -48 21 180 151 52 -193 -192 -3 -467 60 -54 -31 -324 -395 -264 -312 -359 -380 -635 -196 51 -296 -356 -368 182 -226 -39 -108 -31 -7 -63 -6 -72 -299 186 -259 -351 182 -170 151 -87 -115 22 -281 -529 -358 -355 -357 -280 -579 -327 136 -268 -129 -16 -125 91 -636 157 835 151 -83 806 371 574 292 211 212 128 451 599 1011 594 427 251 -506 -160 586 -58 519 516 393 369 213 -72 -274 -278 -551 -712 -697 -647 -1409 -1484 -739 -545 -64 24 652 977 808 -197 474 60 345 124 980 711 261 -561 -476 -769 -752 -208 -1120 -832 -928 -372 -629 566 713 757 355 -152 -30 -43 -267 -4 -288 -175 -504 33 177 329 1191 -273 345 1459 400 405 289 311 -421 -294 -99 43 361 312 107 -408 -389 -7 -887 SS 20221010T133641.1Z 8318.567142 257 1 29.97 2 68.10 123.27 105.99 297.41 0.00 1 0.00 1 0 25 6.066e-02 7.120e-03 5.558e-02 4.591e-03 3.777477e-01 2.271645e-03 4.466302e-03 -6.000000e+00 3.365595e-02 226.14 -2.00 3.55 -2.00 319.45 0.00e+00 4.431080e-04 6.079914e-04 1.925431e-04 -6.000000e+00 1.496510e-03 282.31 -2.00 20.00 -2.00 318.74 0.00e+00 2.657 0.000 302.00 328.00 3 4.7788e+00 6.4056e-03 3.2551e-02 -6.0000e+00 8.3351e-02 4.5320e-03 7.5377e-03 1.9623e-02 -6.0000e+00 9.0853e-02 3.3634e-02 5.7693e-03 9.7567e-03 -6.0000e+00 5.4170e-02 -2.1375e-02 3.0290e-03 2.8120e-03 -6.0000e+00 2.3037e-02 2.0595e-04 -1.0785e-04 1.3060e-04 2.9100e-05 -6.0000e+00 1.5480e-03 5.9075e-03 -2.9739e-05 11 8 0 10 0 0 99.98 17.97 0.16 0.00591 0.00510 86 86 1 8 0 348.390 15.00 17.97 19.79 21.48 21.38 12.8 952.64 28314 -636 19362 -12298 5464 -26059 30746 -17603 24536 -5522 -4659 -20436 2329 -6793 2355 -3516 -3287 5476 -10777 6321 -1871 5373 -234 5156 -4304 1663 -6043 4894 4925 2971 -144 -202 4556 -2044 2361 -5264 4417 -2684 2406 -2418 -516 -2463 1246 -1676 -1552 -1055 -1154 -1023 -1525 198 -353 2303 -2497 1217 31 1862 159 386 606 -84 -1469 708 2802 655 1168 -448 897 -1594 2361 -457 2912 -10 998 1458 436 -136 -244 540 -415 -465 -1605 494 -2612 -1293 -1858 100 -841 544 456 444 1123 -834 638 -469 670 -351 1606 254 534 -875 -158 -914 -553 -625 -191 -873 -1050 278 -467 419 297 601 -131 336 -469 631 -276 -96 159 -49 -371 -147 473 -11 788 -804 1057 230 731 55 505 15 -417 -457 -54 -101 -9 385 194 -100 -424 315 -493 521 -17 452 -368 121 -792 602 -614 636 -206 -171 -915 102 -375 141 -252 -250 407 -962 515 -169 446 -22 490 -476 183 -719 489 464 296 -17 -26 621 -307 312 -754 647 -498 502 -625 -143 -729 370 -516 -479 -327 -354 -312 -469 62 -121 832 -1010 508 14 821 73 175 267 -37 -686 353 1513 392 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