File name: Pandora21s1_Bremen_20220315_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240903T111434.2Z 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_20220315_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: 20220315 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 20220315T103555.8Z 8109.441618 399 1 50.52 2 56.45 162.60 106.88 16.18 0.00 1 0.00 1 0 25 4.299e-02 6.237e-03 3.823e-02 4.004e-03 3.981655e-01 2.073636e-03 5.263849e-03 -6.000000e+00 2.538883e-02 225.02 -2.00 3.88 -2.00 318.95 0.00e+00 -5.022340e-04 4.386254e-04 1.715124e-04 -6.000000e+00 1.029508e-03 268.29 -2.00 20.00 -2.00 318.66 0.00e+00 1.804 0.000 302.00 328.00 3 5.8902e+00 5.5927e-03 2.9031e-02 -6.0000e+00 6.3120e-02 5.4078e-02 6.3607e-03 2.2416e-02 -6.0000e+00 6.8682e-02 -3.5147e-03 4.8452e-03 1.1491e-02 -6.0000e+00 4.0457e-02 -6.5603e-03 2.6048e-03 3.4487e-03 -6.0000e+00 1.6928e-02 1.3740e-04 -1.6980e-04 1.2538e-04 4.2331e-05 -6.0000e+00 1.2891e-03 3.0468e-03 0.0000e+00 10 0 0 10 0 0 96.07 22.26 0.39 0.00305 0.00177 13 3 1 5 0 3885.398 25.28 19.99 22.26 18.11 28.7 1051.41 9887 5136 -5322 -21707 -7634 13146 -10095 1058 -20246 20360 -5279 3811 6258 -9146 -7711 -10979 -2528 -913 6515 -435 -6143 -2315 -2489 4770 -5131 1432 7965 2616 -644 4400 232 1606 486 -4664 2744 -302 -1211 -5603 897 -1097 -1 -572 602 -2254 -2957 268 -1019 -1417 67 1871 2263 -201 -1080 779 2106 799 1009 395 337 743 1449 1316 1518 1040 766 1543 359 2054 -1378 566 389 1200 13 -581 -154 -287 -819 -1606 -54 -795 92 -1168 -2007 -1409 -1093 -494 -440 -99 214 -389 144 386 848 478 937 318 1096 706 -217 -250 353 -516 117 167 -1036 -814 -449 -316 -186 479 175 140 -174 127 -342 422 108 -63 -207 -410 58 -529 85 -127 685 148 709 1190 426 207 -329 327 446 507 -214 -56 186 -294 -164 -413 21 -433 74 259 157 -187 -861 -248 342 -345 36 -953 701 -240 169 308 -611 -593 -983 -226 -86 599 -45 -684 -251 -278 530 -673 185 975 326 -79 518 31 232 78 -824 443 -50 -215 -1198 215 -314 0 -193 209 -817 -1083 95 -366 -508 24 670 855 -84 -487 366 1022 406 523 206 173 376 741 716 895 662 503 976 219 1214 -884 394 296 953 10 -457 -113 -194 -511 -970 -33 -546 71 -1001 -1867 -1375 -1121 -533 -497 -115 249 -445 155 387 795 438 889 331 1252 889 -293 -343 464 -637 134 191 -1251 -1035 -592 -434 -268 730 283 234 -291 205 -520 606 152 -90 -312 -647 93 -848 133 -192 993 208 953 1578 594 310 -525 539 754 885 -392 -107 363 -586 -328 -819 41 -804 132 SS 20220315T104035.0Z 8109.444849 401 1 48.71 2 56.25 163.97 106.70 17.27 0.00 1 0.00 1 0 25 4.169e-02 6.050e-03 2.769e-02 3.196e-03 3.855890e-01 1.652789e-03 5.122816e-03 -6.000000e+00 2.461913e-02 225.02 -2.00 3.88 -2.00 318.90 0.00e+00 2.124580e-05 3.440645e-04 1.609086e-04 -6.000000e+00 9.983716e-04 268.29 -2.00 20.00 -2.00 318.61 0.00e+00 1.794 0.000 302.00 328.00 3 5.5244e+00 4.4515e-03 2.8421e-02 -6.0000e+00 6.1207e-02 2.3641e-02 5.0579e-03 2.1751e-02 -6.0000e+00 6.6601e-02 5.6976e-04 3.8161e-03 1.1141e-02 -6.0000e+00 3.9231e-02 -4.4638e-03 2.0477e-03 3.3357e-03 -6.0000e+00 1.6413e-02 2.0653e-04 -2.5627e-04 1.0038e-04 4.1319e-05 -6.0000e+00 1.2501e-03 3.6293e-03 0.0000e+00 10 0 0 10 0 0 98.28 22.26 0.23 0.00363 0.00170 16 3 1 5 0 3043.921 25.28 20.00 22.26 18.27 28.6 1052.00 -26130 -16766 6211 -2421 -14605 7136 -22086 5085 -12527 -4270 -709 -6915 1710 -4228 1109 -6141 5296 1004 -2615 -3460 -2036 5730 -6306 4749 -3385 -1203 -2549 2296 -4652 1066 3450 -814 5146 -1663 1262 412 219 -164 1460 -917 -707 -286 -695 -1093 -1542 125 -984 -149 -517 -305 1514 372 -843 324 662 886 344 513 1340 814 1135 1397 1195 1281 -411 1957 -295 291 -9 1409 224 -207 121 -519 848 -349 666 53 925 125 -531 -1461 -1521 -1301 -1321 -589 -684 151 -169 -163 -25 481 395 1368 1258 152 1080 318 -415 -577 546 -192 -292 215 -1154 -990 -564 -147 -83 365 133 85 100 -24 -58 251 347 -207 128 -778 -781 -216 -166 140 583 529 240 1673 323 365 283 463 189 435 277 -237 55 58 -340 -396 -129 -424 -180 -1015 -665 207 -85 -535 207 -888 177 -573 -193 -32 -353 91 -281 82 -546 457 96 -273 -379 -226 596 -758 545 -450 -164 -355 295 -614 133 453 -124 809 -293 212 69 39 -34 355 -267 -229 -98 -248 -399 -568 45 -361 -54 -188 -114 585 157 -385 155 329 454 181 270 690 417 590 770 716 822 -275 1245 -182 177 -6 980 172 -167 98 -411 625 -239 415 32 571 86 -412 -1261 -1414 -1271 -1360 -637 -777 175 -198 -187 -27 486 374 1251 1196 159 1234 401 -561 -790 715 -237 -339 246 -1400 -1265 -747 -203 -120 557 215 141 166 -39 -88 361 487 -298 191 -1228 -1261 -346 -259 212 848 742 325 2218 452 546 449 761 319 757 503 -450 106 115 -678 -780 -248 -784 -324 SS 20220315T105031.4Z 8109.451752 407 1 51.19 2 55.87 166.93 106.27 19.58 0.00 1 0.00 1 0 25 4.567e-02 5.685e-03 3.295e-02 3.846e-03 3.867695e-01 1.988826e-03 5.130987e-03 -6.000000e+00 2.697388e-02 225.02 -2.00 3.88 -2.00 318.89 0.00e+00 4.884396e-04 4.126700e-04 1.610642e-04 -6.000000e+00 1.093824e-03 268.29 -2.00 20.00 -2.00 318.60 0.00e+00 1.777 0.000 302.00 328.00 3 5.8953e+00 5.3555e-03 2.8357e-02 -6.0000e+00 6.7061e-02 4.1048e-02 6.0794e-03 2.1787e-02 -6.0000e+00 7.2971e-02 -2.9187e-03 4.5580e-03 1.1142e-02 -6.0000e+00 4.2983e-02 -3.6358e-03 2.4446e-03 3.3303e-03 -6.0000e+00 1.7984e-02 1.4309e-04 -2.1923e-04 1.2055e-04 4.1286e-05 -6.0000e+00 1.3696e-03 3.3635e-03 0.0000e+00 10 0 0 10 0 0 88.94 22.27 0.27 0.00336 0.00172 13 3 1 5 0 3937.704 25.28 20.00 22.27 18.40 28.6 1052.33 16568 -21848 -3332 -25728 -3421 -27410 -6507 -16437 3830 5047 -3515 -4624 -5564 -434 2158 1152 -5443 -571 -4489 1149 -2952 -4212 3077 -3072 -646 1257 4285 912 -42 -3292 -349 3027 -1053 1844 -3975 1540 -1556 981 -1815 532 -699 155 -2180 -1072 -857 -150 321 -913 954 -337 2710 1369 1226 198 1301 696 1322 -274 1560 1985 1349 845 1350 -25 248 634 603 -209 973 -212 37 -549 166 -1091 -717 -37 -7 1310 -222 -100 -498 -1157 -1185 -1161 -898 -462 -588 -424 -12 59 406 -59 326 795 705 1051 257 892 215 -53 11 -467 -157 317 -593 -989 -710 -736 396 -6 431 126 -46 244 108 258 -191 -104 -614 -576 -986 349 215 -94 731 343 656 834 333 547 463 345 53 -24 -37 -123 96 280 -166 -131 -489 -104 -381 441 -928 -124 -1146 -115 -1119 -230 -710 152 211 -165 -233 -321 -28 159 97 -528 -56 -484 122 -335 -488 341 -383 -84 168 560 119 -5 -433 -48 447 -177 317 -707 257 -285 202 -458 153 -227 53 -792 -393 -315 -55 117 -334 345 -126 1041 574 551 95 646 358 691 -145 803 1007 702 469 810 -16 166 410 371 -128 617 -150 28 -446 135 -870 -536 -25 -4 778 -138 -69 -387 -998 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