File name: Pandora55s1_QueensNY_20230524_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T113757.0Z 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_20230524_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: 20230524 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 --------------------------------------------------------------------------------------- SU 20230524T144925.4Z 8544.617655 40 1 46.15 2 32.77 118.19 76.93 68.61 0.00 1 0.00 1 0 25 8.188e-03 6.565e-03 2.331e-04 1.663e-04 1.801739e-01 8.913901e-05 2.194717e-03 -6.000000e+00 4.928571e-03 231.64 -2.00 3.51 -2.00 314.71 0.00e+00 9.731859e-05 7.246585e-06 3.440347e-05 -6.000000e+00 2.165827e-04 284.55 -2.00 20.00 -2.00 314.11 0.00e+00 1.189 0.000 302.00 328.00 3 9.9505e-01 2.2970e-04 1.5240e-02 -6.0000e+00 1.2342e-02 1.0767e-02 2.5354e-04 9.3793e-03 -6.0000e+00 1.3327e-02 -1.9320e-03 1.4488e-04 4.5736e-03 -6.0000e+00 7.9308e-03 -1.5487e-03 6.2351e-05 1.2644e-03 -6.0000e+00 3.3144e-03 4.9385e-02 -2.7515e-04 5.0788e-06 1.8903e-05 -6.0000e+00 2.4455e-04 8.4641e-04 0.0000e+00 11 8 0 10 0 0 11.09 22.69 0.25 0.00085 -0.00122 1138 215 1 5 0 40.510 26.00 20.02 22.69 31.75 36.1 1100.00 -640 -1468 -2627 -2977 -1413 19 998 1262 967 -488 -38 894 1046 870 517 -267 -293 113 492 572 89 1027 1264 893 588 69 -750 -780 277 1352 1307 1697 1520 -805 -604 43 296 498 411 -608 -1293 -1107 -1220 -1086 -954 -823 -1103 -904 -693 331 691 583 860 711 609 570 778 342 628 838 1362 1194 1130 419 -745 -219 -125 346 1199 856 124 -240 -655 -455 -759 -206 126 452 1222 292 96 -748 -1431 -1222 -1038 -1022 -666 -489 -419 -627 -183 204 309 1184 1355 1219 847 759 -315 -474 -318 -456 36 762 58 -687 -271 -750 -142 -113 -130 -343 -284 -120 -103 538 738 780 675 -1 -491 -328 -223 -255 244 272 573 1396 997 432 488 -24 222 69 224 -301 -195 103 -463 -453 -248 -235 -266 -22 -229 -542 -1007 -1099 -499 6 317 435 371 -189 -15 342 419 363 242 -130 -149 59 261 311 47 541 665 483 334 41 -452 -452 149 715 684 924 833 -468 -344 24 162 305 268 -446 -1024 -895 -1022 -922 -810 -694 -918 -728 -561 259 542 479 713 594 527 504 698 310 564 741 1207 1101 1072 410 -759 -215 -117 311 1056 780 122 -245 -694 -478 -769 -200 119 402 1033 259 90 -731 -1475 -1334 -1151 -1169 -784 -605 -515 -768 -222 235 336 1254 1387 1302 920 876 -386 -590 -403 -543 43 862 68 -844 -340 -959 -188 -152 -178 -473 -393 -163 -134 681 907 946 824 -1 -648 -447 -303 -339 319 350 719 1657 1218 535 618 -30 291 92 300 -425 -281 149 -686 -676 -365 -336 -380 -31 SU 20230524T145234.6Z 8544.619845 43 1 46.16 2 32.24 119.15 76.39 69.06 0.00 1 0.00 1 0 25 8.125e-03 6.554e-03 2.317e-04 1.663e-04 1.786913e-01 8.930823e-05 2.181377e-03 -6.000000e+00 4.890244e-03 231.64 -2.00 3.51 -2.00 314.68 0.00e+00 1.161308e-04 7.225895e-06 3.640175e-05 -6.000000e+00 2.149008e-04 284.55 -2.00 20.00 -2.00 314.09 0.00e+00 1.182 0.000 302.00 328.00 3 1.0018e+00 2.3011e-04 1.5144e-02 -6.0000e+00 1.2246e-02 1.1134e-02 2.5402e-04 9.3136e-03 -6.0000e+00 1.3224e-02 -1.9118e-03 1.4515e-04 4.5433e-03 -6.0000e+00 7.8692e-03 -1.7100e-03 6.2332e-05 1.2595e-03 -6.0000e+00 3.2886e-03 4.9531e-02 -2.7917e-04 5.0779e-06 1.8849e-05 -6.0000e+00 2.4265e-04 9.5199e-04 0.0000e+00 11 8 0 10 0 0 33.02 22.69 0.24 0.00095 -0.00115 1135 215 1 5 0 40.630 26.00 19.97 22.69 31.95 36.2 1100.00 -632 -1433 -2572 -2785 -1454 -14 1017 1281 1116 -520 -44 956 989 828 478 -290 -296 71 447 567 37 1012 1270 871 572 151 -750 -822 200 1273 1352 1639 1519 -827 -642 117 295 547 403 -585 -1271 -1065 -1233 -1153 -947 -810 -1098 -887 -701 330 729 628 921 707 600 559 783 313 596 814 1362 1180 1091 388 -728 -227 -112 315 1209 828 156 -279 -622 -467 -774 -248 120 433 1233 258 67 -726 -1421 -1217 -1029 -1041 -704 -492 -438 -614 -148 184 299 1209 1357 1204 845 766 -328 -483 -322 -427 45 774 53 -698 -266 -730 -142 -114 -130 -307 -276 -146 -68 491 734 771 684 15 -515 -353 -211 -261 253 267 562 1398 1005 423 524 -11 249 80 203 -315 -240 100 -456 -437 -234 -259 -257 -16 -230 -538 -1002 -1044 -522 -5 328 449 407 -204 -17 371 403 351 227 -143 -152 37 240 296 20 540 676 477 329 91 -434 -482 109 682 715 902 841 -486 -369 64 164 337 265 -434 -1015 -869 -1042 -948 -779 -689 -922 -720 -549 260 576 498 769 595 523 497 707 286 538 725 1214 1054 1042 383 -719 -225 -106 285 1070 758 153 -286 -662 -494 -788 -243 114 388 1047 230 64 -713 -1471 -1334 -1146 -1195 -833 -592 -541 -755 -180 213 326 1285 1394 1291 921 886 -404 -603 -396 -510 51 879 63 -833 -336 -936 -183 -154 -178 -425 -382 -200 -88 624 903 938 838 19 -682 -482 -288 -347 331 343 708 1663 1189 525 665 -14 327 107 272 -432 -346 144 -676 -653 -345 -371 -367 -22 SU 20230524T145543.8Z 8544.622035 46 1 46.20 2 31.72 120.14 75.85 69.51 0.00 1 0.00 1 0 25 8.166e-03 6.563e-03 2.291e-04 1.650e-04 1.779458e-01 8.861371e-05 2.171861e-03 -6.000000e+00 4.915207e-03 231.64 -2.00 3.51 -2.00 314.66 0.00e+00 1.220338e-04 7.156665e-06 3.664199e-05 -6.000000e+00 2.159958e-04 284.55 -2.00 20.00 -2.00 314.07 0.00e+00 1.175 0.000 302.00 328.00 3 9.9739e-01 2.2828e-04 1.5067e-02 -6.0000e+00 1.2308e-02 1.1153e-02 2.5200e-04 9.2744e-03 -6.0000e+00 1.3291e-02 -1.9074e-03 1.4398e-04 4.5239e-03 -6.0000e+00 7.9093e-03 -1.6313e-03 6.1781e-05 1.2543e-03 -6.0000e+00 3.3054e-03 5.0149e-02 -2.7281e-04 5.0414e-06 1.8759e-05 -6.0000e+00 2.4389e-04 8.5673e-04 0.0000e+00 11 8 0 10 0 0 47.75 22.69 0.24 0.00086 -0.00119 1143 216 1 5 0 40.340 26.00 20.02 22.69 32.22 36.2 1100.00 -730 -1474 -2644 -2809 -1484 122 962 1342 951 -509 -42 959 1057 839 545 -306 -269 49 522 612 107 972 1191 868 561 126 -718 -855 225 1377 1299 1696 1573 -743 -650 182 310 511 422 -640 -1282 -1085 -1190 -1143 -922 -816 -1092 -893 -705 319 708 596 903 715 611 579 734 287 640 819 1354 1192 1076 413 -749 -225 -106 335 1195 843 137 -275 -628 -449 -754 -239 97 401 1210 237 0 -770 -1462 -1202 -1024 -1049 -683 -502 -453 -596 -167 196 283 1210 1383 1197 841 739 -306 -478 -331 -431 38 783 91 -666 -276 -695 -147 -71 -124 -319 -268 -154 -86 501 726 791 676 13 -512 -349 -219 -259 246 243 552 1403 1016 460 517 -13 234 107 207 -323 -233 119 -469 -453 -245 -253 -267 -17 -268 -559 -1040 -1062 -538 40 313 474 350 -202 -17 375 433 358 260 -151 -140 26 282 321 58 522 638 478 324 72 -417 -504 123 740 691 937 875 -438 -375 100 173 301 278 -476 -1028 -889 -1009 -944 -761 -697 -920 -728 -553 252 562 474 757 603 534 517 665 263 579 731 1211 1067 1030 408 -743 -223 -100 304 1060 774 135 -282 -669 -474 -769 -234 92 359 1030 212 0 -757 -1516 -1273 -1140 -1206 -809 -605 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