File name: Pandora21s1_Bremen_20241002_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20241002T232826.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20241002_L1_smca1c7d20231020p1-8.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: 20241002 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: 287 429 Nominal wavelengths inside fitting window [nm]: 305.1299 305.2716 305.4132 305.5548 305.6963 305.8379 305.9793 306.1208 306.2622 306.4035 306.5448 306.6861 306.8274 306.9686 307.1098 307.2510 307.3921 307.5332 307.6742 307.8153 307.9563 308.0972 308.2382 308.3791 308.5199 308.6608 308.8016 308.9424 309.0831 309.2239 309.3646 309.5053 309.6459 309.7865 309.9271 310.0677 310.2082 310.3487 310.4892 310.6297 310.7701 310.9106 311.0509 311.1913 311.3317 311.4720 311.6123 311.7525 311.8928 312.0330 312.1732 312.3134 312.4536 312.5937 312.7338 312.8739 313.0140 313.1540 313.2941 313.4341 313.5741 313.7140 313.8540 313.9939 314.1338 314.2737 314.4136 314.5534 314.6933 314.8331 314.9729 315.1127 315.2524 315.3922 315.5319 315.6716 315.8113 315.9510 316.0906 316.2303 316.3699 316.5095 316.6491 316.7886 316.9282 317.0677 317.2073 317.3468 317.4863 317.6257 317.7652 317.9046 318.0441 318.1835 318.3229 318.4623 318.6016 318.7410 318.8803 319.0196 319.1589 319.2982 319.4375 319.5768 319.7160 319.8553 319.9945 320.1337 320.2729 320.4121 320.5513 320.6904 320.8296 320.9687 321.1078 321.2469 321.3860 321.5251 321.6641 321.8032 321.9422 322.0812 322.2202 322.3592 322.4982 322.6372 322.7762 322.9151 323.0540 323.1930 323.3319 323.4708 323.6096 323.7485 323.8874 324.0262 324.1651 324.3039 324.4427 324.5815 324.7203 324.8591 324.9978 --------------------------------------------------------------------------------------- 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 20241002T123942.9Z 9041.527580 283 1 50.36 2 59.76 204.97 60.21 208.16 0.00 1 0.00 1 0 17 1.980e-02 6.174e-03 1.141e-02 2.526e-03 2.985719e-01 1.286747e-03 3.949940e-03 -6.000000e+00 1.157169e-02 226.03 -2.00 3.88 -2.00 318.07 0.00e+00 9.902781e-05 2.102370e-04 9.042650e-05 -6.000000e+00 4.737424e-04 277.05 -2.00 20.00 -2.00 317.73 0.00e+00 1.978 0.000 302.00 328.00 3 5.2903e+00 3.4173e-03 2.5914e-02 -6.0000e+00 2.8816e-02 5.3542e-02 3.8507e-03 1.6771e-02 -6.0000e+00 3.1504e-02 -3.2731e-04 2.4926e-03 8.3850e-03 -6.0000e+00 1.8546e-02 -5.7320e-03 1.2708e-03 2.4007e-03 -6.0000e+00 7.5915e-03 2.5475e-04 -4.8482e-04 7.9601e-05 2.9819e-05 -6.0000e+00 5.9541e-04 1.2499e-03 0.0000e+00 10 0 0 10 0 0 99.23 22.95 0.26 0.00125 -0.00239 19 4 1 5 0 2649.793 26.00 20.00 22.95 20.77 35.9 1024.46 -4469 -10304 4460 -6995 8625 -4910 -3672 353 -524 -499 -2319 -483 -5081 5459 -5235 -409 -1869 857 2188 1661 -60 278 2409 -1896 1787 -2350 2415 -1353 2859 2359 -357 2424 -597 -230 -2154 292 -2771 -961 -2058 -910 -670 -1709 605 -1819 168 -1371 -315 -1482 1777 1198 673 832 439 1962 831 936 154 1314 78 2449 1736 966 514 -306 -146 254 682 881 57 184 52 85 -828 192 340 -457 -162 829 -930 -335 -977 -1568 -885 -1279 -879 -546 17 -36 100 -292 688 316 974 1204 676 1239 537 288 -428 -460 -682 -180 30 -561 -876 -1116 -245 -204 290 127 -25 -270 -46 164 523 335 -68 304 -472 -223 -670 357 -91 778 134 566 1273 727 512 236 373 -137 484 83 -19 -65 -52 -210 -422 -206 -456 191 -296 -329 -853 317 -516 512 -335 -271 28 -45 -44 -215 -48 -599 669 -798 -64 -312 146 381 300 -11 52 460 -400 382 -529 505 -279 550 469 -79 565 -151 -57 -529 73 -805 -323 -816 -398 -311 -831 293 -905 82 -676 -151 -711 831 582 349 458 255 1170 514 590 98 821 49 1519 1137 683 389 -239 -111 181 467 618 44 154 46 77 -736 161 265 -328 -109 558 -687 -273 -879 -1521 -897 -1365 -988 -643 20 -45 121 -338 740 317 930 1165 702 1397 663 379 -579 -605 -846 -210 35 -677 -1118 -1485 -336 -290 432 198 -41 -433 -72 239 720 450 -93 429 -706 -343 -1041 542 -135 1108 184 749 1640 965 719 350 571 -215 774 139 -33 -115 -95 -387 -776 -369 -796 323 -501 SS 20241002T125519.6Z 9041.538422 289 1 13.29 2 60.84 209.28 61.43 212.31 0.00 1 0.00 1 0 17 1.681e-02 6.663e-03 1.710e-02 4.593e-03 3.033679e-01 2.345160e-03 4.016022e-03 -6.000000e+00 9.830255e-03 226.03 -2.00 3.88 -2.00 317.59 0.00e+00 -9.933988e-06 3.416843e-04 8.282828e-05 -6.000000e+00 4.023358e-04 277.04 -2.00 20.00 -2.00 317.26 0.00e+00 2.043 0.000 302.00 328.00 3 5.3162e+00 6.1836e-03 2.6549e-02 -6.0000e+00 2.4480e-02 4.5259e-02 6.9501e-03 1.6999e-02 -6.0000e+00 2.6761e-02 -1.8191e-03 4.3324e-03 8.4822e-03 -6.0000e+00 1.5754e-02 -1.7075e-03 2.1628e-03 2.4178e-03 -6.0000e+00 6.4504e-03 2.3246e-04 -2.1987e-04 1.4242e-04 2.9865e-05 -6.0000e+00 5.0567e-04 -5.9413e-04 0.0000e+00 12 9 1 12 9 1 77.64 22.95 0.43 -0.00059 -0.00225 3 3 1 5 0 3320.693 26.00 20.00 22.95 21.19 35.5 1025.09 -3278 -7632 -7851 -1887 4002 -4200 -1187 -2800 281 -4577 -3124 -2159 -1695 -161 -2187 -1347 -1656 2532 3785 792 3987 3532 -2804 1082 629 1270 -876 1516 1424 -2550 -742 -146 1549 -1453 802 -3641 -3334 -1219 335 46 36 334 -1064 -603 -811 1195 334 406 -1250 533 1091 391 1303 -1073 -593 897 57 591 2117 820 751 1086 455 -286 1754 1742 -250 744 339 -2 -96 -182 -575 -1174 -724 -300 508 576 -502 -1852 -1351 -1720 -878 -677 -298 -194 534 -222 28 44 462 465 1455 896 175 726 1518 -267 93 -611 -546 -364 334 -1231 -1014 -722 535 -401 -398 264 349 -366 -312 -257 186 880 102 -423 138 -326 -161 -40 -180 576 95 658 978 994 453 675 -44 74 -2 128 -179 395 86 -147 39 -358 -684 -393 -118 -290 -748 -762 -161 303 -348 -104 -279 29 -515 -356 -264 -235 -25 -389 -256 -331 508 778 172 848 764 -670 264 161 328 -225 363 332 -634 -196 -41 453 -431 227 -1114 -1140 -476 149 23 19 179 -586 -332 -448 646 179 216 -676 293 631 240 831 -721 -407 619 40 408 1429 565 541 829 368 -238 1404 1326 -188 566 279 -1 -90 -172 -536 -1056 -608 -233 373 426 -400 -1630 -1282 -1740 -921 -738 -340 -231 650 -274 34 52 510 484 1448 907 188 839 1875 -353 125 -802 -682 -432 391 -1508 -1297 -954 724 -564 -583 401 543 -569 -471 -370 255 1174 138 -594 201 -491 -243 -59 -263 811 130 870 1269 1317 631 980 -66 113 -3 205 -297 671 149 -257 69 -612 -1144 -642 -192 SS 20241002T130437.3Z 9041.544876 292 1 51.36 2 61.55 211.80 62.22 214.74 0.00 1 0.00 1 0 25 9.782e-03 5.094e-03 2.435e-03 4.988e-04 3.088189e-01 2.533526e-04 4.074669e-03 -6.000000e+00 5.718209e-03 226.03 -2.00 3.88 -2.00 318.26 0.00e+00 1.891398e-04 4.361293e-05 9.873945e-05 -6.000000e+00 2.340996e-04 277.04 -2.00 20.00 -2.00 317.91 0.00e+00 2.089 0.000 302.00 328.00 3 2.0640e+00 6.7500e-04 2.7122e-02 -6.0000e+00 1.4240e-02 1.8055e-02 7.6199e-04 1.7351e-02 -6.0000e+00 1.5568e-02 -2.8045e-04 5.0414e-04 8.6838e-03 -6.0000e+00 9.1645e-03 -4.2364e-03 2.5932e-04 2.4931e-03 -6.0000e+00 3.7514e-03 5.7827e-03 -6.5930e-04 1.5741e-05 3.0192e-05 -6.0000e+00 2.9422e-04 1.1125e-03 0.0000e+00 10 0 0 10 0 0 99.81 22.94 0.17 0.00111 -0.00384 844 166 1 5 0 59.426 26.00 19.99 22.94 21.06 35.9 1025.32 -4445 -1751 -2415 880 -975 -1639 -3363 -2478 -1838 -1167 -266 -2901 -2022 -2687 -1890 -1227 -426 -44 -99 116 490 1124 -264 -488 -670 -598 -620 780 826 519 432 537 -656 -960 -16 -1125 -1112 -1039 -1179 -1395 -912 -712 -629 -108 -457 -291 -441 27 571 691 622 807 917 717 931 715 627 730 1100 1236 1296 1294 854 158 202 281 484 892 446 -98 -180 -333 -329 -349 37 97 362 530 -78 -404 -882 -1481 -1203 -1055 -844 -540 -394 -125 -349 41 262 621 1035 1130 864 868 604 -296 -545 -424 -503 39 309 -447 -762 -609 -446 -40 75 57 -220 -158 -80 200 619 653 516 259 -262 -594 -295 -276 -133 209 302 726 1257 910 538 336 52 186 251 46 -184 -127 84 -398 -193 -257 -218 -116 -80 -302 -123 -169 55 -58 -99 -227 -186 -148 -96 -22 -272 -216 -335 -247 -172 -62 -7 -16 19 80 186 -46 -91 -131 -119 -119 151 155 101 91 123 -150 -233 -4 -277 -290 -322 -432 -576 -402 -326 -293 -51 -214 -135 -201 12 256 322 310 430 516 423 564 443 392 449 666 759 839 908 607 116 144 200 331 625 324 -79 -155 -293 -283 -284 27 69 241 355 -57 -316 -772 -1421 -1221 -1133 -911 -617 -468 -150 -412 46 286 619 975 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