File name: Pandora141s1_Calakmul_20250222_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250223T061536.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 141 Spectrometer number: 1 Processing software version used: BlickP v1.8.74 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20250222_L1_smca1c3d20231011p1-8.txt Full location name: Calakmul Atmospheric Observatory Short location name: Calakmul Country of location: Mexico Location latitude [deg]: 18.5956 Location longitude [deg]: -89.4137 Location altitude [m]: 275 Local noon date: 20250222 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: OoB session based on session 2 First and last pixel inside fitting window: 238 379 Nominal wavelengths inside fitting window [nm]: 305.1074 305.2483 305.3892 305.5302 305.6711 305.8120 305.9528 306.0937 306.2346 306.3754 306.5163 306.6571 306.7979 306.9387 307.0795 307.2203 307.3611 307.5018 307.6426 307.7833 307.9240 308.0647 308.2054 308.3461 308.4868 308.6275 308.7681 308.9088 309.0494 309.1900 309.3306 309.4712 309.6118 309.7524 309.8930 310.0335 310.1741 310.3146 310.4551 310.5956 310.7361 310.8766 311.0171 311.1575 311.2980 311.4384 311.5788 311.7192 311.8596 312.0000 312.1404 312.2808 312.4211 312.5615 312.7018 312.8421 312.9824 313.1227 313.2630 313.4033 313.5435 313.6838 313.8240 313.9643 314.1045 314.2447 314.3849 314.5251 314.6652 314.8054 314.9455 315.0857 315.2258 315.3659 315.5060 315.6461 315.7862 315.9262 316.0663 316.2063 316.3463 316.4864 316.6264 316.7664 316.9063 317.0463 317.1863 317.3262 317.4662 317.6061 317.7460 317.8859 318.0258 318.1657 318.3055 318.4454 318.5852 318.7250 318.8649 319.0047 319.1445 319.2842 319.4240 319.5638 319.7035 319.8433 319.9830 320.1227 320.2624 320.4021 320.5418 320.6814 320.8211 320.9607 321.1003 321.2400 321.3796 321.5192 321.6588 321.7983 321.9379 322.0774 322.2170 322.3565 322.4960 322.6355 322.7750 322.9145 323.0539 323.1934 323.3328 323.4723 323.6117 323.7511 323.8905 324.0299 324.1692 324.3086 324.4479 324.5873 324.7266 324.8659 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20250222T135651.6Z 9184.581152 240 1 1.30 2 68.87 109.01 48.51 189.55 0.00 1 0.00 1 0 25 1.321e-02 5.749e-03 7.284e-03 1.959e-03 3.163709e-01 1.048864e-03 3.410976e-03 -6.000000e+00 8.019560e-03 225.70 -2.00 3.11 -2.00 317.46 0.00e+00 2.625848e-04 1.632470e-04 2.034133e-04 -6.000000e+00 3.648135e-04 290.78 -2.00 20.00 -2.00 316.61 0.00e+00 2.748 0.000 302.00 328.00 3 1.4059e+00 2.7540e-03 3.0089e-02 -6.0000e+00 1.9756e-02 -1.3102e-02 3.0922e-03 1.4495e-02 -6.0000e+00 2.1289e-02 4.5997e-03 1.8884e-03 7.1114e-03 -6.0000e+00 1.2771e-02 -6.4446e-03 9.5334e-04 2.0127e-03 -6.0000e+00 5.5524e-03 6.3387e-03 -2.4347e-04 6.2268e-05 2.6241e-05 -6.0000e+00 4.0786e-04 -5.0524e-02 -1.0148e-05 12 1 1 12 1 1 65.78 19.90 0.17 -0.05052 -0.05235 22 1063 1 5 0 56.410 26.00 20.00 19.90 28.68 38.8 990.11 3680 -1978 3932 -6243 -3709 -4905 -4701 2034 308 2139 -2457 -640 -2113 -478 -248 -831 -400 -1248 1505 -138 970 1219 789 -224 472 1838 -2028 -382 -123 1884 273 1188 752 -1360 -2070 -3444 -166 -1011 421 -1647 -914 -406 -529 -124 -983 -673 3 -254 -382 -9 422 346 641 97 936 696 1232 -165 433 676 922 1725 1642 1326 477 164 -51 623 987 1308 372 90 -17 53 80 -385 -675 -377 -378 -521 -960 -1840 -1959 -1605 -903 -363 -481 407 94 217 452 142 439 11 214 338 729 91 -163 -155 -632 -705 91 63 -723 -877 -890 -325 462 628 704 187 128 67 112 679 404 651 16 -278 -262 -199 -16 7 353 178 455 734 403 -75 -161 -434 -151 104 -150 26 153 264 -93 -159 -323 -331 291 -183 354 -595 -318 -411 -414 188 32 232 -286 -77 -291 -76 -42 -157 -80 -266 327 -32 226 285 190 -58 129 513 -547 -104 -32 480 75 332 229 -435 -650 -1092 -55 -372 182 -794 -482 -213 -288 -68 -548 -374 2 -138 -206 -5 244 215 403 65 643 469 840 -114 294 480 643 1280 1260 1082 395 130 -40 483 777 1091 341 83 -15 49 69 -317 -538 -291 -306 -451 -896 -1831 -2014 -1745 -998 -410 -573 494 115 255 515 155 447 11 228 381 878 117 -213 -201 -810 -871 107 76 -899 -1158 -1193 -440 658 923 1053 286 190 97 157 929 552 923 23 -415 -400 -300 -24 10 507 245 626 1018 575 -112 -245 -686 -238 170 -253 45 268 472 -167 -280 -549 -559 SS 20250222T140638.2Z 9184.587942 243 1 4.37 2 66.69 110.11 48.94 192.27 0.00 1 0.00 1 0 17 1.255e-02 6.684e-03 1.279e-02 3.887e-03 2.879244e-01 2.076307e-03 3.112385e-03 -6.000000e+00 7.614455e-03 225.70 -2.00 3.11 -2.00 317.25 0.00e+00 2.117553e-04 3.067992e-04 2.367836e-04 -6.000000e+00 3.464277e-04 290.78 -2.00 20.00 -2.00 316.41 0.00e+00 2.507 0.000 302.00 328.00 3 4.0452e+00 5.4357e-03 2.7437e-02 -6.0000e+00 1.8758e-02 8.9368e-03 6.0946e-03 1.3191e-02 -6.0000e+00 2.0214e-02 1.0936e-02 3.6741e-03 6.4561e-03 -6.0000e+00 1.2127e-02 -9.2099e-03 1.8337e-03 1.8280e-03 -6.0000e+00 5.2714e-03 5.8319e-04 -3.8449e-04 1.2387e-04 2.4041e-05 -6.0000e+00 3.8734e-04 -5.0367e-02 -4.3004e-05 12 9 1 12 9 1 99.98 19.90 0.34 -0.05037 -0.05326 6 96 1 5 0 623.560 26.11 19.96 19.90 29.28 38.6 990.25 -3502 -810 -3221 1860 -3229 2281 -1860 -2188 188 -4088 -672 -3930 2886 -727 613 1141 3150 3 847 -1761 -1835 553 69 1201 224 756 527 1089 872 -410 1921 755 932 -2925 -2917 -1501 -822 -307 -1532 -240 -1745 -1656 -849 -837 -232 -624 -1459 -940 290 -488 1919 1220 1498 1588 491 1578 334 267 642 992 1385 2879 1773 664 584 -617 -98 415 1404 -111 856 180 481 -322 67 -163 -727 -357 -1236 -847 -1299 -1366 -2295 -1708 -1375 -957 234 338 -85 204 196 0 248 610 -138 721 487 211 238 -110 -935 -602 -299 -216 -626 -563 -715 113 359 735 295 335 81 -234 573 561 445 663 418 86 -232 -448 60 264 466 206 801 14 -57 -149 -95 -680 -255 -29 95 230 117 148 -44 -237 -146 -385 -351 -87 -362 192 -324 210 -187 -245 23 -537 -87 -549 420 -124 116 236 676 1 200 -440 -469 140 18 323 64 221 154 306 237 -112 537 229 301 -994 -971 -493 -286 -120 -696 -120 -951 -941 -491 -489 -135 -365 -852 -541 165 -282 1133 761 977 1073 343 1116 241 193 459 708 1009 2175 1427 558 492 -507 -77 323 1134 -97 786 170 456 -300 59 -137 -577 -276 -993 -730 -1210 -1355 -2398 -1844 -1543 -1116 279 412 -104 243 225 0 258 627 -147 812 586 269 313 -144 -1195 -734 -357 -261 -788 -734 -962 156 511 1085 449 514 123 -341 798 759 601 917 600 127 -350 -673 88 380 654 281 1071 19 -80 -217 -143 -1045 -398 -46 156 388 201 258 -77 -410 -248 -641 SS 20250222T141824.1Z 9184.596112 248 1 4.40 2 64.08 111.50 49.60 195.48 0.00 1 0.00 1 0 17 1.426e-02 6.853e-03 1.257e-02 4.732e-03 2.599731e-01 2.531282e-03 2.825142e-03 -6.000000e+00 8.653459e-03 225.70 -2.00 3.11 -2.00 316.79 0.00e+00 5.781775e-04 3.329779e-04 1.034956e-04 -6.000000e+00 3.937309e-04 290.78 -2.00 20.00 -2.00 315.97 0.00e+00 2.274 0.000 302.00 328.00 3 4.5774e+00 6.5742e-03 2.4861e-02 -6.0000e+00 2.1318e-02 1.8918e-02 7.3429e-03 1.1907e-02 -6.0000e+00 2.2973e-02 1.1928e-02 4.3324e-03 5.8479e-03 -6.0000e+00 1.3781e-02 -9.4867e-03 2.1106e-03 1.6853e-03 -6.0000e+00 5.9910e-03 4.4294e-04 -3.9292e-04 1.5066e-04 2.2561e-05 -6.0000e+00 4.4026e-04 -5.2771e-02 -1.5089e-04 12 9 1 12 1 1 97.28 19.89 0.34 -0.05277 -0.05572 3 55 1 5 0 1098.620 26.00 20.00 19.89 29.92 38.9 990.35 4253 -3322 3974 6807 2108 -2443 -3762 1416 -1863 1364 -2993 -629 -1868 -982 2608 640 -3437 -1072 -1118 -1185 -1104 1346 2569 -1247 660 820 -3164 1635 1520 -160 1272 2786 2199 -1830 -989 -3155 -2103 147 -866 -372 -699 -1624 281 -633 -1096 289 -635 -727 -1271 1144 628 830 449 1204 1025 1677 767 888 557 3 1009 1117 637 1271 113 -184 46 1500 1024 750 -131 -133 117 266 -206 309 -581 -156 -17 -901 -1974 -1555 -1472 -1941 -893 -1234 -700 320 411 -297 70 -54 711 1031 524 239 885 789 -68 -347 -401 -1256 155 -295 274 -638 -523 -510 766 598 251 197 239 -674 496 721 673 370 -274 -140 42 -289 160 165 292 64 139 77 867 15 -133 -574 -353 436 67 -292 -222 195 188 102 -419 -288 533 -484 554 886 265 -309 -503 200 -295 219 -507 -108 -357 -210 603 163 -950 -301 -325 -355 -336 405 778 -406 221 282 -1115 536 480 -51 414 958 803 -701 -368 -1190 -836 65 -437 -207 -417 -1013 177 -405 -705 184 -402 -455 -792 708 404 557 316 869 758 1257 585 675 422 2 780 902 543 1116 100 -157 38 1202 859 674 -125 -130 115 254 -189 266 -476 -124 -14 -794 -1883 -1571 -1552 -2127 -1011 -1457 -850 394 505 -359 81 -59 744 1063 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