File name: Pandora55s1_QueensNY_20240307_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T132523.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240307_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240307 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20240307T152050.6Z 8832.639475 208 1 15.65 2 51.64 145.70 64.87 189.71 0.00 1 0.00 1 0 25 9.019e-03 6.450e-03 8.106e-04 4.651e-04 2.372076e-01 2.428403e-04 2.904828e-03 -6.000000e+00 5.312700e-03 225.87 -2.00 3.51 -2.00 315.65 0.00e+00 3.457937e-05 2.361632e-05 4.310072e-05 -6.000000e+00 2.309148e-04 276.66 -2.00 20.00 -2.00 315.10 0.00e+00 1.608 0.000 302.00 328.00 3 1.4852e+00 6.2361e-04 2.0072e-02 -6.0000e+00 1.3156e-02 2.3671e-02 6.9492e-04 1.2040e-02 -6.0000e+00 1.4288e-02 -7.6310e-03 3.9861e-04 5.9731e-03 -6.0000e+00 8.5013e-03 4.6528e-04 1.7861e-04 1.6927e-03 -6.0000e+00 3.5670e-03 1.8122e-02 -2.2806e-04 1.4241e-05 2.3938e-05 -6.0000e+00 2.6889e-04 1.2355e-03 0.0000e+00 12 9 1 12 1 1 99.79 22.71 0.19 0.00124 -0.00048 171 105 1 5 0 90.960 26.00 20.00 22.71 16.25 36.0 1072.16 -1619 -2019 -3133 -4013 -2175 -568 860 909 1178 -864 -653 709 798 719 392 -149 -584 81 382 628 52 1351 1302 1033 750 278 -448 -877 425 1259 1537 1701 1568 -893 -612 196 259 382 622 -483 -1186 -973 -1343 -1009 -917 -776 -1074 -850 -586 363 739 574 840 718 587 555 814 213 588 879 1466 1318 1150 440 -767 -113 -74 359 1223 768 116 -384 -636 -547 -784 -72 221 550 1296 231 48 -664 -1482 -1285 -1055 -1017 -777 -562 -461 -620 -309 219 320 1193 1410 1221 757 818 -309 -462 -360 -508 124 802 45 -762 -247 -680 -58 -74 -139 -382 -335 -131 -128 570 821 809 709 21 -527 -254 -182 -194 250 190 536 1304 952 382 457 -42 205 88 198 -303 -161 139 -464 -418 -253 -214 -314 2 -386 -535 -812 -1013 -529 -126 190 219 316 -235 -180 195 234 237 138 -58 -229 33 158 268 23 591 572 469 341 133 -217 -412 197 551 673 789 739 -451 -304 93 125 195 357 -313 -831 -699 -1005 -766 -697 -587 -806 -621 -416 263 543 426 661 571 486 453 676 179 488 719 1247 1122 1013 402 -736 -105 -66 313 1050 687 111 -386 -661 -563 -775 -68 203 479 1083 197 44 -657 -1556 -1384 -1156 -1149 -934 -687 -578 -773 -369 258 355 1253 1445 1319 839 969 -391 -597 -458 -627 145 930 52 -927 -317 -889 -77 -103 -198 -554 -489 -184 -178 747 1043 1019 929 28 -742 -357 -254 -271 334 250 688 1638 1196 491 606 -57 286 126 284 -446 -243 215 -718 -651 -398 -325 -474 2 SS 20240307T152605.2Z 8832.643116 212 1 0.30 2 51.09 147.21 65.03 190.99 0.00 1 0.00 1 0 17 1.442e-02 8.420e-03 9.716e-03 5.725e-03 2.350293e-01 2.990385e-03 2.888998e-03 -6.000000e+00 8.490698e-03 225.87 -2.00 3.51 -2.00 315.57 0.00e+00 -2.955465e-04 2.851961e-04 3.328418e-05 -6.000000e+00 3.690751e-04 276.66 -2.00 20.00 -2.00 315.02 0.00e+00 1.589 0.000 302.00 328.00 3 1.8442e+00 7.6739e-03 1.9867e-02 -6.0000e+00 2.1026e-02 2.6328e-02 8.5508e-03 1.1955e-02 -6.0000e+00 2.2835e-02 -7.7711e-03 4.9023e-03 5.9308e-03 -6.0000e+00 1.3587e-02 3.9655e-04 2.1848e-03 1.6839e-03 -6.0000e+00 5.7002e-03 1.2949e-02 -2.3032e-04 1.7500e-04 2.3775e-05 -6.0000e+00 4.2979e-04 2.0000e-03 0.0000e+00 12 9 1 12 1 1 999.00 22.71 0.33 0.00200 0.00027 1 67 1 5 0 143.130 26.00 20.00 22.71 16.74 36.2 1074.83 -4682 -1123 -5585 -3900 -6344 -1609 -2230 4855 1149 1192 -836 1164 1504 -257 680 -1091 212 -1261 2924 -63 3285 1095 2177 -676 3775 126 -1660 -1638 1019 1853 870 3596 1706 700 -1370 543 696 -287 549 -554 -926 -122 -860 -1833 -1043 -1121 -612 -867 391 -1090 -111 129 1370 708 475 1106 -71 -763 351 582 571 1563 979 1028 -170 -92 482 843 853 -354 778 -160 -1158 -298 -517 -148 935 1041 73 -69 620 -1207 -1783 -882 -1522 -446 -516 -705 -215 -761 -305 613 -649 1626 1406 353 1240 969 -452 -902 -917 -718 300 1510 159 -996 360 -615 -223 155 -252 -771 -399 616 -18 53 1365 304 955 -104 -863 -593 178 -317 229 -50 310 1725 1074 235 713 -68 620 872 205 -663 170 328 -708 -497 -272 -166 -579 -329 -1173 -296 -1561 -1053 -1637 -379 -532 1180 311 339 -244 337 457 -86 247 -429 86 -529 1220 -27 1421 482 956 -310 1743 62 -823 -794 468 820 388 1639 826 350 -691 264 343 -153 323 -362 -652 -89 -645 -1398 -792 -850 -459 -643 284 -792 -81 97 1061 567 390 920 -60 -654 298 489 482 1340 878 957 -163 -87 436 734 740 -324 748 -161 -1195 -305 -518 -142 844 892 62 -60 574 -1196 -1860 -948 -1691 -510 -613 -861 -265 -940 -369 708 -718 1703 1457 379 1391 1151 -567 -1163 -1173 -889 356 1742 188 -1227 454 -799 -297 212 -354 -1113 -577 872 -25 70 1725 385 1229 -139 -1196 -835 249 -438 309 -66 398 2147 1340 302 947 -93 856 1217 292 -977 256 502 -1101 -776 -422 -253 -866 -487 SS 20240307T153001.6Z 8832.645852 215 1 1.78 2 50.69 148.37 65.16 191.95 0.00 1 0.00 1 0 25 9.138e-03 6.673e-03 3.050e-03 1.751e-03 2.319322e-01 9.135631e-04 2.845945e-03 -6.000000e+00 5.382546e-03 225.87 -2.00 3.51 -2.00 315.65 0.00e+00 1.120915e-04 8.873225e-05 5.518585e-05 -6.000000e+00 2.339455e-04 276.66 -2.00 20.00 -2.00 315.10 0.00e+00 1.575 0.000 302.00 328.00 3 1.9212e+00 2.3466e-03 1.9661e-02 -6.0000e+00 1.3329e-02 2.4741e-02 2.6153e-03 1.1792e-02 -6.0000e+00 1.4475e-02 -4.3697e-03 1.5007e-03 5.8487e-03 -6.0000e+00 8.6130e-03 -1.4288e-03 6.7207e-04 1.6621e-03 -6.0000e+00 3.6140e-03 1.2188e-02 -2.5430e-04 5.3598e-05 2.3416e-05 -6.0000e+00 2.7241e-04 1.0341e-03 0.0000e+00 12 9 1 12 1 1 99.95 22.71 0.19 0.00103 -0.00088 14 81 1 5 0 118.500 26.00 20.00 22.71 17.06 36.1 1076.28 -1381 -1652 -3339 -3640 -1498 -1539 1619 870 647 -1096 -501 -652 883 447 1216 -621 -122 359 197 1457 -243 1006 758 428 749 599 -455 -418 248 1796 1760 1411 1654 -821 -558 14 756 -235 991 -497 -1259 -823 -1233 -964 -1090 -433 -1360 -1072 -753 333 959 1064 775 332 487 503 1179 150 710 593 1426 977 1489 250 -747 -321 150 285 1329 925 -26 -187 -639 -460 -590 -60 -239 459 1312 93 -24 -678 -1895 -928 -1002 -1078 -731 -627 -697 -721 -32 485 486 1224 1330 1090 857 705 -406 -374 -437 -488 274 894 294 -972 -145 -628 21 -33 14 -396 -310 -419 -235 673 647 667 754 209 -673 -378 -135 -162 226 1 607 1357 1030 165 546 38 319 -3 312 -397 -126 192 -414 -428 -204 -222 -303 -96 -326 -422 -887 -949 -358 -348 361 209 169 -305 -140 -185 259 144 428 -236 -48 146 82 613 -106 436 329 191 346 286 -219 -197 112 777 764 638 785 -410 -275 7 366 -123 575 -321 -878 -599 -921 -728 -823 -326 -1018 -792 -547 239 691 790 599 266 398 419 990 127 598 495 1192 839 1325 234 -718 -304 136 248 1147 837 -25 -188 -658 -472 -590 -58 -216 394 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