File name: Pandora21s1_Bremen_20220905_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T183229.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20220905_L1_smca1c6d20211128p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20220905 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20220905T071214.9Z 8283.300173 130 1 14.86 2 68.48 108.27 153.87 15.62 0.00 1 0.00 1 0 25 2.804e-02 5.605e-03 1.811e-02 2.709e-03 3.526818e-01 1.420412e-03 4.644475e-03 -6.000000e+00 1.687438e-02 229.98 -2.00 3.88 -2.00 318.54 0.00e+00 4.374670e-04 2.607371e-04 1.298431e-04 -6.000000e+00 6.716539e-04 280.65 -2.00 20.00 -2.00 318.23 0.00e+00 2.701 0.000 302.00 328.00 3 3.7140e+00 3.8301e-03 3.3791e-02 -6.0000e+00 4.2437e-02 7.7730e-03 4.2973e-03 2.0355e-02 -6.0000e+00 4.6009e-02 -2.9998e-03 3.0086e-03 1.0154e-02 -6.0000e+00 2.7001e-02 -2.2692e-03 1.5854e-03 2.9427e-03 -6.0000e+00 1.1186e-02 5.7626e-04 -3.7165e-04 8.5043e-05 3.5326e-05 -6.0000e+00 8.4199e-04 1.4457e-03 0.0000e+00 12 1 1 12 1 1 99.95 22.31 0.24 0.00145 -0.00135 21 15 1 5 0 667.219 25.39 20.00 22.31 25.99 30.1 1016.32 1587 -6307 1026 -16078 8692 -12291 6431 -13612 867 -2128 -5497 -5003 -9415 72 -5346 1531 -1008 3102 -1381 -2255 -613 151 1899 -1823 2466 -3268 -370 -1519 2921 -2117 -254 2113 448 -1290 -2869 530 -2844 1203 -1090 -625 -1968 -765 14 -1763 761 -839 1072 -1087 209 246 1541 1614 325 331 784 899 -100 909 -61 1361 1317 1583 1136 776 689 363 1325 -193 510 796 567 23 272 -184 -111 133 -147 132 -510 -172 -1112 -1021 -1363 -1073 -1182 -1369 60 -480 183 -602 517 295 642 1127 482 432 667 650 -226 -419 -687 -604 -110 30 -719 -747 -333 -464 101 -194 226 16 31 27 259 387 488 924 -273 -128 -659 29 -275 99 220 250 708 996 991 335 212 -110 150 149 -41 -114 5 207 -326 -44 -458 -307 -212 66 -311 49 -875 353 -584 271 -764 47 -127 -347 -332 -729 6 -535 161 -117 366 -179 -306 -84 21 264 -277 383 -559 -62 -250 444 -336 -42 377 88 -270 -599 106 -624 292 -318 -210 -738 -301 6 -738 314 -352 442 -453 86 103 671 750 162 175 428 504 -58 522 -35 767 757 958 741 540 491 252 872 -127 346 588 454 19 231 -153 -88 98 -101 87 -345 -127 -912 -913 -1303 -1072 -1238 -1511 69 -565 216 -704 574 310 634 1080 478 460 771 812 -301 -565 -901 -750 -130 35 -884 -963 -444 -641 145 -292 355 25 49 42 385 549 680 1307 -404 -198 -1044 46 -427 150 324 356 976 1359 1398 500 332 -179 248 252 -72 -209 9 393 -624 -83 -853 -556 -377 SS 20220905T072941.4Z 8283.312285 139 1 22.40 2 66.03 112.14 153.05 23.61 0.00 1 0.00 1 0 25 1.081e-02 5.346e-03 2.898e-03 5.924e-04 3.217585e-01 3.106345e-04 4.274215e-03 -6.000000e+00 6.503736e-03 229.97 -2.00 3.88 -2.00 318.04 0.00e+00 2.635594e-04 4.963404e-05 9.999715e-05 -6.000000e+00 2.588525e-04 280.65 -2.00 20.00 -2.00 317.73 0.00e+00 2.443 0.000 302.00 328.00 3 1.5621e+00 8.2987e-04 3.0665e-02 -6.0000e+00 1.6356e-02 -1.3011e-02 9.2583e-04 1.8546e-02 -6.0000e+00 1.7732e-02 -3.2193e-03 6.0488e-04 9.2073e-03 -6.0000e+00 1.0406e-02 -1.7550e-03 3.1143e-04 2.6445e-03 -6.0000e+00 4.3117e-03 6.7121e-03 -4.4830e-04 1.8498e-05 3.1745e-05 -6.0000e+00 3.2449e-04 8.5680e-04 0.0000e+00 12 1 1 12 1 1 98.36 22.31 0.25 0.00086 -0.00251 259 112 1 5 0 85.141 25.39 20.00 22.31 27.21 30.2 1022.84 -1848 -3913 -2643 -5171 -2680 -3339 -2562 -917 -1994 -2098 -3559 257 -2108 -360 -1439 -943 -692 64 -23 301 418 -107 680 177 696 -484 -769 -875 377 828 300 1646 60 -816 -1248 -293 -1119 -388 -471 -869 -900 -1120 -734 -1057 -480 -807 -491 -531 -155 529 800 816 940 1032 453 910 576 511 548 1026 1371 1296 1219 575 93 172 438 604 1027 460 -145 -185 -382 -252 -249 -84 148 670 534 -59 -428 -1193 -1393 -1210 -929 -820 -398 -409 -244 -277 216 450 820 1268 1018 690 607 326 -468 -569 -430 -483 193 201 -609 -726 -532 -453 0 21 -46 -220 -126 28 206 617 747 502 189 -416 -658 -269 -363 -132 274 286 849 1298 826 453 292 46 268 386 9 -132 -64 -4 -472 -256 -309 -291 -156 -113 -270 -187 -361 -168 -202 -161 -63 -155 -174 -306 22 -210 -41 -191 -139 -109 11 -4 54 77 -20 129 36 137 -100 -161 -191 77 167 64 381 14 -203 -304 -70 -286 -114 -165 -359 -385 -511 -346 -509 -231 -390 -235 -251 -73 249 394 432 532 618 285 586 355 316 359 664 904 849 869 443 74 130 311 418 740 371 -122 -165 -344 -221 -205 -67 107 457 374 -46 -379 -1110 -1410 -1221 -995 -939 -454 -485 -291 -324 251 481 856 1264 1052 736 723 408 -638 -749 -572 -596 235 242 -741 -945 -727 -616 0 33 -70 -352 -200 41 303 846 1052 688 275 -615 -1011 -413 -544 -200 398 396 1178 1764 1178 662 457 72 429 638 15 -232 -117 -8 -857 -460 -563 -508 -264 SS 20220905T073505.8Z 8283.316039 142 1 49.51 2 65.28 113.37 152.73 26.00 0.00 1 0.00 1 0 25 1.064e-02 4.715e-03 1.066e-02 1.693e-03 3.118460e-01 8.869756e-04 4.117841e-03 -6.000000e+00 6.400589e-03 229.97 -2.00 3.88 -2.00 318.69 0.00e+00 8.056685e-05 1.663859e-04 1.133774e-04 -6.000000e+00 2.547514e-04 280.65 -2.00 20.00 -2.00 318.37 0.00e+00 2.375 0.000 302.00 328.00 3 3.6586e+00 2.3971e-03 2.9791e-02 -6.0000e+00 1.6097e-02 2.0741e-03 2.6927e-03 1.8014e-02 -6.0000e+00 1.7451e-02 1.2033e-02 1.8810e-03 9.0067e-03 -6.0000e+00 1.0241e-02 -1.0395e-02 9.8662e-04 2.6276e-03 -6.0000e+00 4.2433e-03 8.8277e-04 -3.9455e-04 5.4464e-05 3.1847e-05 -6.0000e+00 3.1935e-04 9.8026e-04 0.0000e+00 10 0 0 10 0 0 99.95 22.32 0.17 0.00098 -0.00198 205 40 1 5 0 241.487 25.39 20.00 22.32 27.65 30.2 1025.70 -2753 -979 -504 -565 -2426 -1158 2743 1008 5849 -640 -2151 1421 -2572 491 -3002 -1834 -1194 2671 -1285 492 368 -301 249 -492 -233 -1640 -655 -1689 852 -119 994 1036 -107 -1855 -2036 57 -539 -30 -577 67 -1740 -784 -979 -1269 26 -716 -713 -1004 -522 467 1030 645 877 506 930 823 315 96 942 859 958 1304 1383 419 188 289 452 917 1038 538 125 -102 -90 -345 -46 -101 -172 551 532 -345 -593 -1242 -1524 -983 -828 -700 -468 33 -196 -115 327 532 861 944 1068 822 855 453 -179 -394 -393 -498 -88 253 -627 -700 -645 -561 -31 116 85 -80 -33 -106 158 411 528 407 228 -401 -696 -200 -213 27 287 227 699 1059 623 373 253 -92 15 280 43 -131 -1 33 -357 -93 -174 -232 -25 -132 -51 -27 -29 -124 -56 134 56 329 -41 -143 95 -200 43 -313 -202 -140 316 -166 65 50 -41 35 -73 -37 -275 -109 -286 133 -19 161 184 -21 -383 -411 11 -113 -7 -159 22 -634 -301 -391 -517 10 -291 -287 -400 -205 184 423 285 414 254 484 442 174 53 511 463 526 759 875 286 131 194 284 557 658 380 98 -85 -76 -283 -36 -71 -110 330 325 -235 -457 -1072 -1431 -933 -835 -754 -533 39 -234 -134 357 533 827 868 1011 852 946 558 -239 -536 -513 -602 -100 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