File name: Pandora21s1_Bremen_20220117_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240903T104043.3Z 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_20220117_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: 20220117 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 20220117T125949.6Z 8052.541547 455 1 0.88 2 76.03 200.44 99.14 23.38 0.00 1 0.00 1 0 25 9.217e-02 6.575e-03 8.080e-02 5.240e-03 5.146039e-01 2.692778e-03 6.718088e-03 -6.000000e+00 5.370624e-02 221.53 -2.00 3.88 -2.00 319.31 0.00e+00 1.311114e-03 6.521754e-04 2.728650e-04 -6.000000e+00 2.207494e-03 265.74 -2.00 20.00 -2.00 319.03 0.00e+00 4.051 0.001 302.00 328.00 3 7.6782e-01 7.3124e-03 4.9029e-02 -6.0000e+00 1.3251e-01 7.7180e-02 8.4518e-03 2.8682e-02 -6.0000e+00 1.4454e-01 -3.7860e-02 7.2291e-03 1.4893e-02 -6.0000e+00 8.5353e-02 6.7992e-03 3.9254e-03 4.5851e-03 -6.0000e+00 3.5952e-02 2.4933e-03 -6.4443e-04 1.5618e-04 5.5996e-05 -6.0000e+00 2.7620e-03 6.2133e-03 0.0000e+00 12 9 1 12 1 1 -74.09 22.14 0.21 0.00621 0.00137 6 96 1 5 0 102.179 25.17 20.00 22.14 14.59 27.7 1030.27 -50704 20985 -48172 -23237 -29278 2409 -7720 -36668 21146 -31958 25250 -1695 6538 4457 21345 5857 -7117 4173 -9764 4879 -173 2184 -9399 2469 -12078 7709 -9041 1110 -364 2166 3819 2078 120 -5303 5397 1130 -3124 3483 -3227 506 -407 -391 386 245 -2610 -497 -1288 929 -39 209 1775 137 1974 352 1338 76 -445 383 -429 1290 1410 2916 -57 1619 -71 789 -399 643 640 -620 -40 584 -469 -94 778 -877 897 -393 235 -938 -916 -1672 -936 -1219 -342 -472 -620 -673 251 326 276 -36 1601 651 462 -132 1118 597 -127 336 -446 74 248 360 -1492 -589 -877 -31 392 136 -51 -433 -151 -187 -41 594 762 605 74 -301 -944 -526 18 73 -139 513 937 965 945 115 -284 -716 -60 796 -170 -185 77 297 54 -528 -369 -29 68 -1198 300 -1337 -512 -644 39 -146 -998 385 -995 502 -47 196 164 807 291 -439 252 -710 326 -12 156 -768 194 -1158 652 -899 99 -32 195 376 236 16 -761 701 152 -465 561 -651 115 -103 -106 108 70 -778 -147 -389 279 -12 67 602 51 778 149 589 35 -210 180 -200 589 655 1422 -31 929 -43 469 -234 375 394 -420 -29 439 -357 -70 542 -577 548 -238 148 -659 -713 -1428 -847 -1156 -336 -485 -661 -734 273 349 285 -36 1501 611 454 -141 1287 744 -168 450 -584 91 292 418 -1810 -739 -1139 -41 547 200 -79 -698 -244 -297 -63 879 1114 899 114 -479 -1525 -839 28 111 -207 745 1328 1369 1400 181 -474 -1240 -106 1441 -321 -361 152 595 109 -1054 -719 -55 125 SS 20220117T130323.8Z 8052.544025 457 1 5.14 2 76.22 201.28 98.94 24.14 0.00 1 0.00 1 0 25 6.050e-02 4.438e-03 3.615e-02 1.899e-03 5.196305e-01 9.800166e-04 6.744188e-03 -6.000000e+00 3.524871e-02 221.53 -2.00 3.88 -2.00 319.67 0.00e+00 1.301709e-03 2.619754e-04 3.097123e-04 -6.000000e+00 1.448867e-03 265.74 -2.00 20.00 -2.00 319.38 0.00e+00 4.103 0.001 302.00 328.00 3 5.9618e-01 2.6949e-03 4.9659e-02 -6.0000e+00 8.6966e-02 6.7428e-02 3.1718e-03 2.9110e-02 -6.0000e+00 9.4867e-02 -2.8432e-02 2.9068e-03 1.5295e-02 -6.0000e+00 5.6020e-02 1.3615e-03 1.5663e-03 4.7860e-03 -6.0000e+00 2.3596e-02 2.8152e-03 -6.8822e-04 5.7424e-05 5.9306e-05 -6.0000e+00 1.8128e-03 6.4082e-03 0.0000e+00 12 1 1 12 1 1 99.98 22.14 0.17 0.00641 0.00124 74 147 1 5 0 66.113 25.17 20.00 22.14 14.66 27.8 1031.01 83 -12947 -25783 1790 -38508 6937 -31200 -6495 -22873 -17377 -10206 -12901 2967 -12154 3564 -12099 1686 -1458 1830 -1273 323 -1891 -625 -451 -2597 1252 -5562 -3853 -6937 -137 2881 2193 1593 -1532 1383 -876 1586 -516 1639 -1703 -1119 -523 -780 -1053 -698 -1221 -1198 -62 226 -63 -367 1244 1430 1449 977 592 750 -77 121 980 750 1288 846 456 -38 497 146 779 636 688 90 338 -278 48 517 -363 189 -178 139 -707 -521 -1354 -1372 -1314 -1098 -878 -263 98 27 155 322 619 738 994 794 714 858 568 -196 -228 -88 -446 451 262 -686 -450 -441 -216 -210 -13 -158 -326 -187 -111 153 502 577 356 68 -327 -614 -120 -136 -211 212 186 512 1032 384 157 97 -61 13 124 -188 -143 84 208 -225 -162 -90 -100 -3 1 -192 -463 26 -724 88 -569 -105 -489 -381 -221 -318 75 -410 125 -545 74 -72 94 -71 18 -111 -38 -29 -186 91 -441 -294 -536 -10 235 196 162 -171 149 -96 183 -71 267 -321 -237 -119 -187 -260 -174 -310 -308 -16 60 -18 -105 386 484 528 379 240 312 -32 50 396 311 572 398 237 -21 268 77 408 357 413 60 238 -198 33 327 -220 105 -97 80 -448 -380 -1076 -1199 -1170 -1039 -883 -265 102 28 158 322 576 677 901 736 745 974 699 -255 -304 -112 -544 525 300 -797 -556 -573 -285 -298 -19 -248 -541 -313 -179 233 747 843 536 105 -528 -1012 -194 -213 -331 318 267 735 1475 570 249 162 -108 24 233 -363 -292 172 433 -473 -333 -183 -193 -5 SS 20220117T131206.2Z 8052.550072 459 1 50.40 2 76.71 203.31 98.41 25.98 0.00 1 0.00 1 0 44 9.118e-02 3.815e-03 2.207e-02 8.090e-04 5.341346e-01 4.259241e-04 6.824290e-03 -6.000000e+00 5.312483e-02 221.53 -2.00 3.88 -2.00 320.39 0.00e+00 1.160907e-03 1.359057e-04 4.225999e-04 -6.000000e+00 2.183746e-03 265.74 -2.00 20.00 -2.00 320.09 0.00e+00 4.246 0.002 302.00 328.00 3 3.4817e-01 1.2055e-03 5.1424e-02 -6.0000e+00 1.3107e-01 6.7486e-02 1.4900e-03 3.0383e-02 -6.0000e+00 1.4298e-01 -2.5905e-02 1.5431e-03 1.6490e-02 -6.0000e+00 8.4431e-02 -1.8529e-03 8.1177e-04 5.3747e-03 -6.0000e+00 3.5561e-02 3.1120e-03 -6.1213e-04 2.5450e-05 6.9257e-05 -6.0000e+00 2.7323e-03 6.7682e-03 0.0000e+00 10 0 0 10 0 0 99.77 22.14 0.20 0.00677 0.00217 882 173 1 5 0 56.175 25.17 20.00 22.14 15.03 28.0 1034.14 -32480 -39786 -36282 -32933 -27750 -33737 -31609 -30635 -28805 -18845 -23573 -11908 -16918 -5821 -3717 -5667 -6020 -5383 2972 -2700 1922 -2659 -130 -2020 -2328 -2157 -3459 78 -1638 -2071 -153 1807 -1238 -847 -1685 -865 -1570 -367 452 -630 -550 -1933 -918 -1012 -332 -422 -163 88 116 1356 10 1336 756 979 383 643 429 218 324 532 1374 1160 1362 494 401 270 403 616 938 722 215 45 -260 -60 -329 79 201 91 155 -408 -396 -1006 -1433 -1502 -840 -847 -311 -16 102 328 666 651 685 883 721 720 739 477 -131 -346 -143 -248 543 306 -578 -698 -446 -340 -25 -55 -145 -218 -181 -86 113 595 529 417 104 -388 -377 -44 -259 -182 41 69 546 879 440 98 9 -59 11 204 -136 -168 60 76 -236 -104 -21 -92 135 -303 -462 -435 -376 -283 -358 -351 -382 -399 -257 -358 -179 -296 -113 -87 -159 -190 -185 101 -95 72 -98 -5 -83 -104 -102 -168 4 -75 -100 -8 110 -88 -64 -127 -65 -128 -35 48 -80 -79 -303 -150 -170 -56 -72 -28 15 21 257 2 303 189 263 110 192 132 68 98 159 417 380 496 200 171 114 165 255 415 361 119 26 -154 -34 -174 38 88 39 71 -216 -243 -704 -1033 -1159 -686 -737 -284 -16 97 301 574 523 519 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