File name: Pandora55s1_QueensNY_20240614_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T140210.0Z 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_20240614_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: 20240614 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 20240614T182731.0Z 8931.769109 14 1 50.37 2 25.96 234.84 78.17 99.87 0.00 1 0.00 1 0 17 8.092e-03 6.560e-03 5.839e-04 4.205e-04 1.643206e-01 2.263825e-04 1.988933e-03 -6.000000e+00 4.881113e-03 232.91 -2.00 3.51 -2.00 314.68 0.00e+00 9.095972e-05 1.839655e-05 3.353970e-05 -6.000000e+00 2.159443e-04 286.75 -2.00 20.00 -2.00 314.05 0.00e+00 1.112 0.000 302.00 328.00 3 3.0084e+00 5.8456e-04 1.4137e-02 -6.0000e+00 1.2252e-02 -2.4695e-03 6.4542e-04 8.5858e-03 -6.0000e+00 1.3224e-02 3.0525e-03 3.6852e-04 4.1648e-03 -6.0000e+00 7.8705e-03 -3.0654e-03 1.5732e-04 1.1431e-03 -6.0000e+00 3.2781e-03 7.3896e-03 1.8204e-04 1.2894e-05 1.7047e-05 -6.0000e+00 2.4199e-04 1.9106e-02 0.0000e+00 11 9 0 11 4 0 99.95 11.96 0.23 0.01911 0.02047 232 44 1 5 0 217.080 24.46 20.00 11.96 36.99 38.9 1100.00 -755 -1603 -2240 -2470 -1249 691 1140 1603 952 -539 115 1074 988 512 641 -453 -361 -22 600 510 8 1043 1127 797 553 57 -680 -684 461 1489 1177 1806 1237 -1051 -613 313 248 443 287 -960 -1412 -1131 -1334 -1168 -1074 -788 -1278 -883 -662 379 561 588 836 672 583 518 866 298 677 895 1299 1060 1096 251 -754 -129 -66 666 1326 909 58 -218 -537 -439 -635 -102 86 657 1151 252 0 -812 -1454 -1114 -893 -930 -588 -360 -374 -570 -47 226 440 1302 1396 1102 704 630 -460 -419 -428 -463 110 807 -70 -686 -362 -748 -117 -44 -114 -405 -279 -211 -40 593 806 783 626 -99 -561 -515 -245 -207 297 247 614 1372 938 430 464 -96 243 150 180 -333 -62 74 -484 -425 -226 -260 -156 -35 -267 -617 -879 -922 -447 226 375 576 355 -214 45 418 406 219 304 -235 -183 -11 314 275 5 570 617 450 328 33 -398 -405 252 762 639 958 697 -622 -351 171 139 265 192 -718 -1121 -950 -1104 -976 -897 -651 -1042 -726 -523 304 433 475 710 570 510 462 783 272 610 797 1165 952 1052 247 -763 -125 -61 591 1166 832 57 -229 -557 -469 -651 -100 80 577 973 226 0 -822 -1534 -1190 -1003 -1075 -696 -447 -457 -716 -57 259 473 1329 1453 1157 776 733 -563 -532 -530 -559 128 913 -81 -848 -455 -949 -154 -58 -158 -561 -385 -287 -52 727 969 939 786 -129 -754 -687 -336 -276 392 311 757 1668 1142 529 580 -126 322 195 243 -458 -90 106 -712 -629 -329 -381 -221 -48 SS 20240614T183143.8Z 8931.772035 17 1 23.20 2 26.62 236.44 77.42 100.58 0.00 1 0.00 1 0 17 8.028e-03 6.554e-03 4.154e-04 3.036e-04 1.646270e-01 1.636675e-04 1.997186e-03 -6.000000e+00 4.845954e-03 232.91 -2.00 3.51 -2.00 314.60 0.00e+00 9.215003e-05 1.310564e-05 3.244609e-05 -6.000000e+00 2.142683e-04 286.75 -2.00 20.00 -2.00 313.98 0.00e+00 1.118 0.000 302.00 328.00 3 1.6144e+00 4.2229e-04 1.4200e-02 -6.0000e+00 1.2164e-02 -1.8219e-02 4.6581e-04 8.6085e-03 -6.0000e+00 1.3126e-02 2.2893e-03 2.6614e-04 4.1770e-03 -6.0000e+00 7.8123e-03 -2.8095e-03 1.1351e-04 1.1475e-03 -6.0000e+00 3.2564e-03 2.9762e-02 7.7717e-05 9.3026e-06 1.7322e-05 -6.0000e+00 2.4006e-04 1.4284e-02 0.0000e+00 12 9 1 12 5 1 99.72 12.50 0.25 0.01428 0.01487 336 139 1 5 0 68.810 25.07 19.99 12.50 37.35 38.6 1100.00 -698 -1461 -2504 -2535 -1120 288 1182 1388 1080 -458 189 1081 1025 851 368 -398 -257 204 348 564 44 963 1148 845 463 68 -860 -718 417 1404 1270 1545 1216 -924 -607 181 178 414 307 -866 -1403 -1081 -1302 -1159 -934 -866 -1187 -889 -706 427 671 589 880 618 574 526 773 340 701 865 1372 1169 1104 298 -681 -124 -49 541 1292 833 172 -303 -501 -455 -674 -169 148 555 1133 200 -20 -880 -1480 -1113 -945 -965 -556 -440 -425 -575 -98 231 404 1209 1377 1181 738 675 -433 -461 -365 -465 145 789 -21 -644 -314 -724 -143 -87 -162 -399 -302 -206 -71 602 780 807 649 -61 -545 -397 -238 -293 302 215 626 1432 942 472 445 -47 244 163 163 -332 -177 76 -489 -421 -202 -258 -198 -3 -268 -573 -1010 -973 -410 97 396 508 411 -186 76 431 431 373 180 -200 -134 109 189 314 24 547 651 468 270 41 -525 -419 238 749 673 853 712 -539 -344 103 104 257 204 -647 -1120 -876 -1090 -982 -789 -726 -982 -739 -566 330 522 481 724 533 510 459 683 303 617 753 1201 1071 1040 289 -681 -123 -46 492 1160 779 173 -315 -518 -483 -687 -165 135 479 978 175 -19 -879 -1551 -1186 -1060 -1118 -662 -533 -527 -707 -119 267 437 1236 1424 1235 814 789 -535 -574 -444 -550 164 898 -24 -777 -387 -935 -186 -117 -222 -551 -415 -279 -91 754 953 981 798 -78 -724 -543 -325 -389 395 276 761 1706 1122 591 569 -61 321 218 219 -456 -256 109 -725 -627 -296 -369 -282 -4 SS 20240614T183654.6Z 8931.775633 20 1 50.70 2 27.45 238.32 76.49 101.47 0.00 1 0.00 1 0 17 9.027e-03 6.327e-03 1.527e-03 1.020e-03 1.670325e-01 5.472594e-04 2.016620e-03 -6.000000e+00 5.452335e-03 232.91 -2.00 3.51 -2.00 315.04 0.00e+00 3.731309e-05 4.760069e-05 3.217030e-05 -6.000000e+00 2.409409e-04 286.75 -2.00 20.00 -2.00 314.37 0.00e+00 1.126 0.000 302.00 328.00 3 4.6576e+00 1.4182e-03 1.4343e-02 -6.0000e+00 1.3686e-02 2.4073e-03 1.5681e-03 8.7303e-03 -6.0000e+00 1.4766e-02 5.0984e-03 8.9377e-04 4.2330e-03 -6.0000e+00 8.7883e-03 -3.9816e-03 3.8591e-04 1.1572e-03 -6.0000e+00 3.6659e-03 1.3875e-03 2.7674e-05 3.1342e-05 1.6908e-05 -6.0000e+00 2.6985e-04 9.8171e-03 0.0000e+00 11 1 0 11 12 0 99.98 13.11 0.18 0.00982 0.01003 69 13 1 5 0 734.660 25.39 20.02 13.11 37.49 38.5 1100.00 -1331 -2890 -80 -4246 -770 182 1510 2722 2027 -725 -551 1144 -174 384 1345 56 -789 557 1083 552 -624 911 1264 90 731 -251 612 -955 212 517 1063 1859 1511 -1539 -571 1202 -432 169 491 -245 -1575 -607 -1793 -1288 -1171 -410 -1555 -877 -658 585 424 411 581 1120 857 458 1121 467 915 834 501 1409 1126 104 -498 -266 263 262 1199 860 18 38 -370 -390 -173 -320 79 843 1078 -236 -415 -742 -1545 -1031 -1012 -818 -653 -265 -314 -283 -117 221 176 1026 1089 968 450 614 -177 -453 -390 -562 241 760 66 -746 -340 -680 -21 188 -18 -485 -110 -70 -358 339 545 663 350 -108 -614 -232 -4 47 286 202 384 1115 765 375 681 -7 288 245 341 -122 13 30 -433 -494 -293 -257 -256 -121 -419 -983 -27 -1436 -235 52 430 823 669 -255 -194 397 -64 151 570 26 -373 265 523 273 -316 459 637 47 390 -138 336 -516 108 253 515 924 788 -836 -304 613 -227 96 312 -174 -1210 -483 -1469 -1061 -964 -335 -1266 -696 -510 443 323 324 474 936 734 399 985 413 803 728 442 1267 1058 103 -498 -260 243 231 1046 789 18 39 -388 -407 -176 -312 72 722 901 -205 -385 -732 -1612 -1109 -1125 -946 -784 -327 -394 -355 -142 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