File name: Pandora55s1_QueensNY_20230916_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T122442.2Z 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_20230916_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: 20230916 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 20230916T131607.2Z 8659.552861 114 1 33.90 2 61.34 113.72 77.00 105.96 0.00 1 0.00 1 0 25 2.121e-02 7.832e-03 4.228e-03 1.689e-03 2.664867e-01 8.853518e-04 3.198170e-03 -6.000000e+00 1.265232e-02 229.14 -2.00 3.51 -2.00 316.70 0.00e+00 -3.882018e-04 1.121875e-04 5.151034e-05 -6.000000e+00 5.688994e-04 287.86 -2.00 20.00 -2.00 315.90 0.00e+00 2.075 0.000 302.00 328.00 3 4.1586e+00 2.3190e-03 2.4883e-02 -6.0000e+00 3.1453e-02 1.0457e-02 2.5946e-03 1.3778e-02 -6.0000e+00 3.4008e-02 1.5496e-03 1.5103e-03 6.7191e-03 -6.0000e+00 2.0322e-02 -2.4557e-03 7.1116e-04 1.8709e-03 -6.0000e+00 8.5648e-03 7.5882e-04 -3.1658e-04 5.2090e-05 2.4242e-05 -6.0000e+00 6.3320e-04 1.1676e-03 0.0000e+00 12 9 1 12 9 1 79.20 19.02 0.23 0.00117 -0.00121 17 5 1 5 0 1882.900 26.00 20.00 19.02 24.60 36.1 1041.39 -4302 -8937 10275 -10032 -1877 1252 -935 8255 1815 6 -3703 286 -2908 -6382 3478 724 -4018 120 3962 2627 3012 -239 1902 -1680 1567 -302 -1666 -1060 -256 -1223 685 2309 589 -2542 -714 2960 -1993 -45 1341 1280 -1712 151 -1619 -1643 -1068 400 -1122 -321 -261 600 739 -582 -30 1583 1455 697 2174 881 1359 488 1659 2388 942 -73 -553 -967 417 -121 1291 539 -433 -157 -69 -672 134 -293 652 894 907 -687 -576 -289 -1406 -1093 -1725 -1065 -1169 -451 -861 -214 -292 -197 216 1037 1379 1103 684 350 -22 -560 -321 -833 -111 894 340 -602 -367 -688 17 452 -3 -501 -191 -132 -180 375 819 944 767 50 -866 -275 114 19 296 -83 325 1120 1108 345 533 332 311 146 419 -307 -133 122 -364 -732 -187 -287 -381 -62 -608 -1450 1465 -1666 -271 166 -128 1139 293 1 -683 52 -576 -1453 816 190 -1156 35 1142 791 926 -76 601 -563 537 -110 -616 -381 -88 -409 228 800 220 -1011 -279 1097 -782 -19 636 684 -1019 94 -1044 -1075 -698 259 -730 -205 -164 375 468 -387 -21 1128 1070 526 1656 681 1045 374 1267 1864 778 -63 -496 -863 353 -99 1045 463 -400 -152 -68 -663 128 -268 558 724 722 -572 -515 -277 -1434 -1156 -1897 -1212 -1385 -550 -1068 -263 -352 -228 236 1078 1416 1174 773 422 -28 -736 -420 -1054 -134 1048 407 -754 -475 -916 23 634 -4 -752 -287 -195 -258 512 1079 1238 1029 70 -1257 -405 166 27 417 -114 434 1455 1440 464 744 478 457 218 636 -482 -214 200 -605 -1224 -309 -467 -607 -97 SS 20230916T132136.6Z 8659.556674 117 1 50.61 2 60.39 114.86 76.04 106.92 0.00 1 0.00 1 0 25 1.255e-02 6.698e-03 2.165e-03 9.338e-04 2.605870e-01 4.898608e-04 3.157179e-03 -6.000000e+00 7.484453e-03 229.14 -2.00 3.51 -2.00 316.53 0.00e+00 -6.662546e-05 5.955119e-05 6.369256e-05 -6.000000e+00 3.365332e-04 287.86 -2.00 20.00 -2.00 315.73 0.00e+00 2.015 0.000 302.00 328.00 3 3.5238e+00 1.2797e-03 2.4249e-02 -6.0000e+00 1.8606e-02 1.1967e-02 1.4300e-03 1.3522e-02 -6.0000e+00 2.0118e-02 1.0753e-03 8.2808e-04 6.5997e-03 -6.0000e+00 1.2021e-02 -3.4203e-03 3.8621e-04 1.8248e-03 -6.0000e+00 5.0665e-03 1.5297e-03 -3.6387e-04 2.8757e-05 2.4368e-05 -6.0000e+00 3.7457e-04 1.2242e-03 0.0000e+00 11 8 0 10 0 0 76.27 19.02 0.21 0.00122 -0.00151 61 12 1 5 0 829.520 26.00 20.00 19.02 24.64 36.0 1041.53 -3633 -5002 1048 -6261 -2306 420 -908 3869 241 -1423 -2024 36 -483 -3659 2213 -485 -2257 1734 2226 1170 516 992 950 -279 586 294 1560 -860 -328 379 1072 2172 1259 -2051 -999 1555 -401 38 1188 26 -1280 -899 -1598 -1146 -966 -86 -1316 -499 -635 423 842 338 585 1418 651 618 1201 433 965 878 1247 1574 1217 185 -437 -661 253 175 1241 944 108 -260 -570 -562 -456 -261 215 834 1109 -136 -369 -534 -1263 -1289 -1249 -1069 -966 -479 -490 -716 -294 138 235 1374 1338 1263 721 625 -340 -469 -408 -485 -63 975 174 -731 -236 -710 -138 198 -30 -331 -162 -101 -169 528 665 882 608 -138 -697 -370 -207 -87 238 79 409 1385 933 449 558 160 192 265 356 -314 -55 42 -469 -595 -325 -246 -321 133 -565 -864 178 -1109 -369 62 -137 608 43 -274 -400 7 -102 -879 564 -138 -685 527 696 381 172 333 321 -98 214 111 593 -326 -119 132 375 793 493 -854 -410 611 -163 17 587 14 -783 -578 -1059 -770 -649 -58 -880 -328 -413 272 547 229 413 1034 491 475 937 341 755 681 972 1254 1018 163 -397 -595 217 144 1018 816 100 -253 -568 -558 -441 -242 186 684 893 -114 -332 -515 -1291 -1370 -1372 -1218 -1145 -583 -607 -885 -355 159 257 1429 1378 1345 814 750 -432 -615 -531 -610 -76 1141 208 -913 -304 -943 -188 277 -43 -492 -243 -149 -239 715 871 1151 811 -192 -1004 -541 -301 -125 333 109 544 1784 1205 599 773 229 280 390 536 -488 -88 68 -772 -984 -532 -397 -507 208 SS 20230916T132655.2Z 8659.560361 120 1 50.75 2 59.49 115.98 75.12 107.86 0.00 1 0.00 1 0 25 1.292e-02 6.721e-03 2.206e-03 9.880e-04 2.528253e-01 5.181594e-04 3.060754e-03 -6.000000e+00 7.708427e-03 229.14 -2.00 3.51 -2.00 316.43 0.00e+00 6.605933e-06 6.162214e-05 5.957903e-05 -6.000000e+00 3.465937e-04 287.85 -2.00 20.00 -2.00 315.64 0.00e+00 1.961 0.000 302.00 328.00 3 3.7015e+00 1.3519e-03 2.3570e-02 -6.0000e+00 1.9163e-02 9.5131e-03 1.5099e-03 1.3107e-02 -6.0000e+00 2.0719e-02 1.9161e-03 8.7226e-04 6.3963e-03 -6.0000e+00 1.2381e-02 -3.2448e-03 4.0479e-04 1.7706e-03 -6.0000e+00 5.2183e-03 1.3678e-03 -3.5835e-04 3.0372e-05 2.3738e-05 -6.0000e+00 3.8576e-04 9.5794e-04 0.0000e+00 11 8 0 10 0 0 99.31 19.02 0.22 0.00096 -0.00173 53 10 1 5 0 957.390 26.00 19.97 19.02 24.77 36.1 1043.05 -3235 -5816 2284 -6813 -1345 81 -1361 4373 580 -1304 -1677 31 -815 -2948 2260 -731 -2091 1871 2099 1551 691 844 1241 -176 748 -377 1638 -1174 29 457 1300 1851 1426 -2159 -874 1065 -139 106 518 240 -1495 -360 -1546 -1274 -1018 -72 -1349 -516 -712 518 686 199 402 1031 1119 300 1247 415 988 720 1482 1519 1203 321 -413 -687 122 197 1282 1078 -152 -139 -556 -649 -415 -298 339 806 1288 -242 -442 -357 -1321 -1046 -1279 -930 -1044 -553 -551 -672 -243 220 335 1156 1325 1415 657 660 -266 -478 -250 -572 -170 919 361 -809 -349 -862 -78 171 -70 -273 -143 -238 -236 463 618 1012 478 -29 -652 -465 31 -38 206 163 441 1167 1024 292 620 191 232 108 267 -291 -131 193 -362 -607 -245 -223 -293 -41 -529 -1070 407 -1279 -225 13 -217 720 109 -264 -345 6 -180 -731 599 -216 -657 588 679 520 238 292 431 -64 281 -148 639 -458 11 164 466 694 570 -919 -367 429 -57 48 262 136 -932 -234 -1042 -868 -695 -49 -917 -344 -469 338 453 136 287 761 850 233 980 330 780 566 1162 1222 1017 285 -378 -624 105 164 1058 935 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