File name: Pandora21s1_Bremen_20230806_L2Fit_fout2c9d20211128p1-8.txt File generation date: 20250424T083126.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c9p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v9d20211128.txt Level 1 file used: Pandora21s1_Bremen_20230806_L1_smca1c9d20211128p1-8.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: 20230806 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 20230806T075905.3Z 8618.332701 298 1 22.69 2 54.76 110.71 72.69 254.81 0.00 1 0.00 1 0 17 1.436e-02 5.820e-03 8.942e-03 2.932e-03 2.718714e-01 1.560487e-03 3.617798e-03 -6.000000e+00 8.759134e-03 233.02 -2.00 3.88 -2.00 317.12 0.00e+00 5.764961e-04 1.933465e-04 6.236069e-05 -6.000000e+00 3.443522e-04 282.76 -2.00 20.00 -2.00 316.81 0.00e+00 1.728 0.000 302.00 328.00 3 5.2369e+00 4.1385e-03 2.3634e-02 -6.0000e+00 2.2193e-02 6.1265e-02 4.5887e-03 1.5797e-02 -6.0000e+00 2.3988e-02 -4.8910e-03 2.7615e-03 7.7427e-03 -6.0000e+00 1.4044e-02 -1.4350e-03 1.3394e-03 2.1666e-03 -6.0000e+00 5.7968e-03 3.4624e-04 -5.4516e-04 9.0892e-05 2.7202e-05 -6.0000e+00 4.3143e-04 -1.3900e-02 0.0000e+00 12 1 1 12 1 1 99.74 22.23 0.29 -0.01390 -0.01800 7 4 1 5 0 2835.540 25.39 19.99 22.23 24.14 33.8 1008.58 -437 -6922 -1007 -1198 -2246 -3809 -5132 4288 -3344 -2300 -6884 1697 -2461 2776 -1970 673 -91 420 122 -1563 1291 1513 2947 -846 888 111 -557 -2447 739 384 2229 1240 1098 820 -2192 -1460 -611 -53 -1139 -461 389 -38 -436 -1058 229 -649 -738 -235 -181 558 -19 447 196 1054 685 1607 587 940 -208 272 2164 826 1768 723 209 -18 -247 -371 270 567 175 131 92 -442 -68 -741 -1221 -435 -525 131 -419 -1418 -1571 -1459 -408 -1226 -570 51 746 -179 344 389 414 696 222 937 351 776 -39 -82 -95 -713 -135 88 -518 -847 -803 -639 -91 378 206 202 47 212 72 151 40 111 -83 -198 -473 -122 13 427 607 330 957 756 589 327 -73 37 3 473 65 62 98 110 -252 -134 -438 -635 -291 -47 -872 -124 -143 -250 -408 -572 480 -444 -321 -1017 237 -390 475 -399 146 -21 101 31 -411 339 398 775 -239 260 34 -172 -743 208 106 621 374 354 275 -741 -478 -208 -20 -508 -233 214 -22 -262 -647 139 -397 -448 -140 -106 325 -11 282 131 726 488 1160 433 695 -154 199 1581 637 1436 622 184 -15 -200 -290 215 486 162 127 91 -429 -63 -647 -991 -332 -404 107 -376 -1383 -1626 -1572 -455 -1442 -697 64 938 -224 412 438 438 706 229 1015 410 971 -51 -110 -124 -893 -161 104 -638 -1094 -1073 -880 -128 554 313 314 72 317 103 205 53 148 -115 -287 -708 -183 19 617 849 447 1250 971 773 450 -105 55 4 720 101 101 164 187 -432 -229 -736 -1044 -467 SS 20230806T080346.9Z 8618.335960 301 1 21.03 2 54.10 111.83 73.34 255.78 0.00 1 0.00 1 0 17 8.484e-03 5.122e-03 5.434e-03 1.917e-03 2.609674e-01 1.021915e-03 3.488756e-03 -6.000000e+00 5.173905e-03 233.02 -2.00 3.88 -2.00 316.95 0.00e+00 2.599170e-04 1.211506e-04 5.622196e-05 -6.000000e+00 2.034123e-04 282.76 -2.00 20.00 -2.00 316.64 0.00e+00 1.701 0.000 302.00 328.00 3 4.5241e+00 2.7055e-03 2.2998e-02 -6.0000e+00 1.3109e-02 3.4561e-02 2.9976e-03 1.5191e-02 -6.0000e+00 1.4170e-02 3.8159e-03 1.7870e-03 7.4403e-03 -6.0000e+00 8.2961e-03 -3.3874e-03 8.5707e-04 2.0783e-03 -6.0000e+00 3.4238e-03 7.4769e-04 -4.1477e-04 5.9386e-05 2.6519e-05 -6.0000e+00 2.5486e-04 -1.3228e-02 0.0000e+00 12 1 1 12 1 1 99.85 22.23 0.20 -0.01323 -0.01634 16 8 1 5 0 1236.232 25.39 20.00 22.23 24.28 33.9 1009.88 -1994 -2664 -2955 -2967 -1763 -1074 730 1496 1612 -1569 -1861 152 -1279 -519 -442 158 -813 254 1647 -730 -379 78 1258 -69 32 820 -886 -152 220 371 995 2237 1193 -684 -426 -400 -737 10 -139 -1103 -411 -1125 -640 -1200 -431 -618 -270 -1132 -184 798 619 789 604 680 806 778 941 478 563 399 1413 1494 1110 841 64 -126 29 185 663 387 -206 154 55 -75 -321 -18 -274 -138 54 17 -941 -1116 -1429 -1138 -900 -884 -348 -300 2 -137 330 223 383 665 647 401 802 677 -303 -443 -459 -622 -275 180 -566 -599 -559 -354 87 223 304 -72 131 -72 286 633 555 315 38 -265 -581 -126 -74 -139 318 82 734 947 772 373 546 145 146 197 9 -202 65 -83 -305 -181 -118 -459 -376 -240 -354 -407 -395 -214 -123 85 189 225 -239 -288 24 -219 -99 -95 37 -204 66 435 -203 -108 22 359 -21 10 266 -293 -48 66 109 298 707 406 -245 -149 -137 -264 4 -64 -585 -236 -683 -398 -760 -272 -390 -169 -699 -111 479 382 511 411 482 587 578 709 363 423 299 1064 1172 924 736 58 -109 24 146 536 337 -193 151 54 -73 -302 -16 -225 -108 42 15 -857 -1094 -1486 -1228 -1010 -1039 -425 -376 2 -171 396 253 408 679 668 437 935 845 -400 -593 -600 -776 -328 212 -698 -771 -744 -485 122 326 460 -110 201 -107 403 848 728 419 52 -381 -864 -188 -109 -200 444 111 959 1214 1010 511 775 212 217 298 14 -326 107 -139 -517 -305 -196 -745 -598 SS 20230806T080839.2Z 8618.339343 304 1 3.44 2 53.43 113.01 74.01 256.79 0.00 1 0.00 1 0 25 8.068e-03 5.808e-03 4.723e-03 2.244e-03 2.581607e-01 1.205082e-03 3.458409e-03 -6.000000e+00 4.920635e-03 233.02 -2.00 3.88 -2.00 316.19 0.00e+00 1.020303e-04 1.192495e-04 4.297312e-05 -6.000000e+00 1.934495e-04 282.76 -2.00 20.00 -2.00 315.88 0.00e+00 1.674 0.000 302.00 328.00 3 3.3006e+00 3.1645e-03 2.2654e-02 -6.0000e+00 1.2468e-02 2.7209e-02 3.4988e-03 1.4969e-02 -6.0000e+00 1.3476e-02 2.1365e-04 2.0247e-03 7.3177e-03 -6.0000e+00 7.8898e-03 -1.4199e-03 9.2836e-04 2.0339e-03 -6.0000e+00 3.2564e-03 2.6352e-03 -3.3271e-04 6.8776e-05 2.7292e-05 -6.0000e+00 2.4237e-04 -1.3733e-02 0.0000e+00 12 1 1 12 1 1 96.57 22.24 0.19 -0.01373 -0.01623 8 26 1 5 0 380.409 25.39 20.01 22.24 24.52 33.9 1010.78 -1089 -1868 -1381 -2246 -2625 -873 456 1362 1074 401 -831 -494 -947 -841 -869 502 -1435 748 801 307 422 271 -14 677 -157 -89 -342 211 1183 1294 1843 2729 1368 79 -1366 -499 -828 -54 560 -935 -571 -1315 -636 -976 -360 -969 -648 -1249 -194 280 450 823 -31 860 375 819 1194 266 673 861 1317 1084 973 727 -427 2 318 104 928 82 -368 -411 87 -458 -78 -39 175 325 123 -13 -174 -835 -1254 -1440 -847 -888 -499 -537 -125 -361 221 322 686 845 889 1091 919 363 -18 -334 -559 -536 234 654 -474 -688 -507 -500 -135 -96 -173 -185 -288 -20 97 575 634 633 -74 -430 -443 -181 -311 -92 189 368 718 1400 932 749 324 280 271 260 -153 11 -267 -72 -478 -27 -119 -317 -635 -191 -358 -271 -430 -469 -147 78 252 217 86 -182 -110 -227 -224 -256 158 -480 254 280 111 155 100 -5 260 -63 -37 -143 85 455 486 705 1094 585 35 -601 -214 -370 -26 307 -575 -376 -904 -445 -692 -254 -688 -455 -868 -132 190 312 594 -23 666 299 661 972 219 548 697 1074 916 861 670 -401 2 277 89 799 75 -359 -416 88 -462 -76 -36 153 271 103 -12 -164 -842 -1328 -1578 -957 -1043 -605 -667 -156 -446 264 367 742 883 936 1199 1072 449 -23 -438 -718 -661 277 770 -579 -874 -662 -669 -186 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