File name: Pandora206s1_BuffaloNY_20230907_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T061258.2Z 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_20230907_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: 20230907 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 20230907T122606.1Z 8650.518127 216 1 27.66 2 72.60 98.13 19.40 219.97 0.00 1 0.00 1 0 17 8.129e-02 7.020e-03 8.440e-02 5.010e-03 4.125386e-01 2.530072e-03 4.847023e-03 -6.000000e+00 4.591325e-02 229.80 -2.00 3.55 -2.00 319.65 0.00e+00 -6.382932e-05 7.286735e-04 2.699160e-04 -6.000000e+00 2.039633e-03 286.09 -2.00 20.00 -2.00 318.88 0.00e+00 3.296 0.001 302.00 328.00 3 4.7143e+00 7.2835e-03 3.8985e-02 -6.0000e+00 1.1456e-01 3.0939e-03 8.6666e-03 2.2005e-02 -6.0000e+00 1.2425e-01 1.2252e-02 6.8612e-03 1.0770e-02 -6.0000e+00 7.4035e-02 -1.5235e-02 3.5826e-03 3.0166e-03 -6.0000e+00 3.1508e-02 1.1680e-04 -1.8492e-04 1.4180e-04 3.1089e-05 -6.0000e+00 2.0724e-03 -2.1742e-02 1.5788e-04 11 8 0 10 0 0 98.84 18.31 0.27 -0.02174 -0.02313 21 21 2 8 0 1316.900 15.00 18.31 26.83 21.69 21.88 19.2 990.36 -29828 30025 -2633 30470 -24412 41641 -14899 -9901 -16519 35916 4615 -2370 -29996 -14791 -6676 -3087 11893 4285 2194 4939 6786 -8270 86 2609 4980 -10634 -2667 9572 -700 5113 -3292 3824 -171 7340 -1378 -1348 -2168 1166 -529 -344 -3844 -475 -676 -2043 1989 -6134 -234 -5464 1738 -2883 2063 -270 712 918 1959 839 1499 1292 -53 -34 -70 2765 333 3556 -506 1995 -2640 362 926 629 992 -151 672 1123 516 -278 1540 -1157 -325 -1562 -716 -594 -2025 -2228 -860 -461 101 223 288 755 238 1141 -171 -61 35 445 561 1643 -94 124 -43 -695 -737 -580 -303 -1265 -265 -629 -261 -87 511 507 -67 -211 -292 200 -365 -184 -511 514 -655 -44 53 679 615 109 345 819 523 205 292 -331 -193 -162 178 -433 251 447 289 -117 230 -415 -793 -659 417 -54 453 -534 475 -312 -224 -458 673 115 -66 -1307 -665 -330 -171 611 255 142 327 456 -617 6 206 412 -1047 -258 780 -59 413 -324 392 -21 879 -169 -160 -288 175 -95 -75 -964 -122 -181 -566 530 -1793 -64 -1577 471 -838 620 -91 256 354 786 350 642 555 -22 -14 -30 1255 172 1881 -286 1067 -1406 186 507 385 670 -108 476 759 325 -163 811 -606 -181 -1018 -509 -475 -1716 -1980 -811 -465 107 243 316 793 232 1054 -149 -52 33 447 635 2009 -125 163 -53 -819 -801 -645 -368 -1579 -343 -867 -368 -134 815 834 -109 -333 -427 284 -521 -274 -792 836 -1090 -71 83 1052 905 154 465 1117 787 326 498 -593 -344 -302 354 -884 519 947 617 -243 467 -813 -1512 SS 20230907T124036.3Z 8650.528198 218 1 45.98 2 69.99 100.75 21.18 227.46 0.00 1 0.00 1 0 17 2.632e-02 4.969e-03 4.490e-03 5.396e-04 3.631115e-01 2.696806e-04 4.318614e-03 -6.000000e+00 1.486494e-02 229.80 -2.00 3.55 -2.00 318.99 0.00e+00 6.940285e-04 6.326887e-05 1.279190e-04 -6.000000e+00 6.604426e-04 286.09 -2.00 20.00 -2.00 318.20 0.00e+00 2.890 0.000 302.00 328.00 3 1.5017e+00 7.4995e-04 3.4210e-02 -6.0000e+00 3.7090e-02 -1.4855e-02 8.6793e-04 1.9270e-02 -6.0000e+00 4.0230e-02 -2.2756e-03 6.1281e-04 9.4015e-03 -6.0000e+00 2.3970e-02 -4.2734e-03 3.2114e-04 2.6963e-03 -6.0000e+00 1.0200e-02 4.5837e-03 -1.7134e-04 1.5050e-05 2.6258e-05 -6.0000e+00 6.7104e-04 -2.1543e-02 1.3219e-04 10 0 0 10 0 0 99.98 18.30 0.29 -0.02154 -0.02283 819 253 2 8 0 55.930 15.00 18.30 27.98 21.69 21.88 19.5 999.11 -10114 -5789 -6865 -7914 -11723 -10494 -9070 -7854 -5812 -5924 -7457 -8065 -4651 -3948 -1379 -1411 -558 -591 52 511 10 -392 -377 19 -738 -10 -777 -1069 -2110 -424 180 781 1330 -151 -2800 -2615 -1971 -1965 -737 -413 -778 -894 -337 -793 -39 -207 -424 -426 -723 -285 970 827 937 1175 718 1099 847 514 539 478 870 1199 1587 1945 653 235 -34 -340 438 502 568 506 296 475 160 -141 -369 -816 -375 -801 -949 -825 -1948 -1529 -996 -615 -273 44 510 467 614 576 357 343 452 80 440 695 118 -248 -197 -730 -690 -108 -783 -898 -757 -651 -331 148 321 180 154 151 -46 180 101 169 -7 -36 -413 -86 229 142 585 366 547 999 646 336 264 92 -162 51 -3 -66 -80 148 -86 -249 -161 -298 -328 -353 -219 -277 -310 -420 -356 -326 -315 -259 -286 -365 -411 -268 -268 -108 -126 -53 -59 5 56 1 -44 -44 2 -99 -1 -112 -146 -271 -54 25 120 227 -28 -493 -445 -368 -428 -193 -117 -246 -298 -116 -280 -14 -73 -150 -149 -253 -101 366 341 411 551 354 552 439 267 273 239 447 666 968 1293 447 150 -21 -203 278 367 420 392 229 385 120 -96 -228 -485 -236 -583 -787 -702 -1807 -1476 -1029 -682 -318 48 566 540 655 565 324 304 431 86 531 870 160 -331 -246 -911 -797 -127 -944 -1141 -1006 -914 -492 220 510 294 244 225 -68 251 141 246 -11 -56 -653 -133 372 221 859 516 731 1347 955 540 421 153 -276 90 -7 -124 -154 289 -170 -475 -316 -562 -603 SS 20230907T124715.6Z 8650.532820 222 1 27.66 2 68.79 101.98 22.08 230.54 0.00 1 0.00 1 0 17 2.016e-02 6.297e-03 2.411e-02 3.559e-03 3.462455e-01 1.773743e-03 4.142784e-03 -6.000000e+00 1.138589e-02 229.80 -2.00 3.55 -2.00 318.50 0.00e+00 4.788331e-04 3.606718e-04 1.729799e-04 -6.000000e+00 5.058667e-04 286.09 -2.00 20.00 -2.00 317.70 0.00e+00 2.738 0.000 302.00 328.00 3 5.0368e+00 4.8504e-03 3.2486e-02 -6.0000e+00 2.8409e-02 2.1275e-02 5.5476e-03 1.8381e-02 -6.0000e+00 3.0814e-02 6.8187e-03 3.7343e-03 8.9252e-03 -6.0000e+00 1.8360e-02 -7.8392e-03 1.9567e-03 2.5301e-03 -6.0000e+00 7.8129e-03 1.5386e-04 -2.7301e-04 9.8607e-05 2.5459e-05 -6.0000e+00 5.1398e-04 -2.1667e-02 1.2966e-04 10 0 0 10 0 0 98.66 18.30 0.40 -0.02167 -0.02372 10 10 4 8 0 2765.290 15.00 18.30 28.62 21.69 21.88 19.4 1001.61 -10435 3596 -6480 -3512 -4975 -1367 -5496 8050 1238 6478 1184 406 -5478 2720 -4594 -224 2821 -1353 576 279 -1436 -59 -638 -32 -1734 -1676 924 1382 -1640 2735 2196 -2068 2472 1582 -1110 -2842 -2393 -1561 807 -2798 -729 -724 -544 -744 740 -626 -1491 -2945 -1570 -803 770 2961 -241 1530 777 765 933 946 -491 -355 263 2518 1051 2358 560 170 -786 -972 610 20 1161 380 1049 807 822 -602 -584 -1475 -249 -1286 -884 -892 -2045 -1412 -506 -603 -186 274 606 952 580 655 -314 -21 235 275 528 537 215 64 233 -416 -939 -118 -252 -673 -1290 -723 -327 -218 264 262 -374 93 -410 328 -121 -247 -149 217 -276 181 151 -7 1068 427 446 882 625 496 559 -73 -253 347 289 34 -287 144 -111 -393 40 -593 -360 -486 164 -344 -174 -219 -56 -250 360 67 361 69 25 -410 221 -471 -25 326 -172 76 39 -208 -8 -93 -5 -292 -297 162 228 -259 414 367 -396 503 345 -231 -582 -538 -405 240 -999 -283 -294 -230 -320 313 -271 -644 -1273 -667 -342 347 1422 -123 821 438 441 552 559 -287 -205 155 1571 710 1661 408 118 -520 -633 416 15 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