File name: Pandora55s1_QueensNY_20250415_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250416T050308.8Z 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 v1.8.75 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250415_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: 20250415 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 20250415T144312.8Z 9236.613342 349 1 50.75 2 42.35 127.20 128.19 270.56 0.00 1 0.00 1 0 25 1.098e-02 6.808e-03 1.892e-03 1.126e-03 2.007797e-01 5.938801e-04 2.457105e-03 -6.000000e+00 6.538317e-03 228.60 -2.00 3.51 -2.00 315.51 0.00e+00 3.537344e-06 5.615440e-05 3.430549e-05 -6.000000e+00 2.854725e-04 280.37 -2.00 20.00 -2.00 314.90 0.00e+00 1.351 0.000 302.00 328.00 3 4.6236e+00 1.5318e-03 1.7090e-02 -6.0000e+00 1.6275e-02 8.1002e-03 1.7019e-03 1.0346e-02 -6.0000e+00 1.7623e-02 2.3298e-03 9.7384e-04 5.0893e-03 -6.0000e+00 1.0487e-02 -3.1068e-03 4.3160e-04 1.4218e-03 -6.0000e+00 4.3958e-03 1.0737e-03 -2.9959e-04 3.4534e-05 2.0242e-05 -6.0000e+00 3.2755e-04 -4.4326e-03 0.0000e+00 11 8 0 10 0 0 99.95 22.96 0.29 -0.00443 -0.00668 40 8 1 5 0 1268.390 26.21 20.02 22.96 23.55 38.0 1100.00 -1982 -4025 2046 -5896 -1038 483 -504 4181 507 -683 -1791 -124 -58 833 1887 -417 -1589 1212 1951 1416 -551 544 1431 -659 559 -561 1704 -965 -806 450 1380 1752 974 -1023 -674 1534 -533 -272 441 -18 -1295 -579 -1424 -1203 -1052 -112 -1524 -227 -554 403 488 243 540 1147 964 646 1261 586 1022 739 960 1617 1025 -45 -599 -521 222 149 1172 982 32 -56 -250 -759 28 -538 172 651 949 -336 -320 -444 -1766 -1215 -1489 -987 -730 -285 -492 -289 -270 26 205 1190 1316 1279 583 543 -394 -402 -378 -751 6 800 193 -666 -327 -640 -103 308 224 -359 -201 -33 -323 279 630 740 544 27 -726 -156 -43 126 176 216 258 1123 978 219 700 180 425 160 307 -237 116 140 -532 -590 -330 -391 -261 -109 -504 -1123 559 -1671 -264 114 -120 1026 140 -201 -537 -37 -18 278 686 -165 -663 507 828 618 -249 245 641 -307 267 -279 840 -473 -378 201 610 799 469 -515 -336 730 -261 -144 259 -12 -926 -433 -1095 -934 -818 -86 -1174 -170 -410 293 357 183 423 924 797 543 1072 503 871 626 816 1400 930 -43 -585 -502 203 130 1009 885 31 -56 -259 -786 29 -523 156 558 791 -289 -294 -434 -1838 -1307 -1656 -1136 -873 -351 -616 -360 -330 30 227 1248 1352 1351 650 641 -491 -516 -483 -930 8 922 227 -819 -416 -836 -138 421 316 -520 -292 -47 -442 363 790 923 693 36 -1002 -218 -60 174 238 285 330 1391 1206 278 918 243 581 221 433 -344 174 213 -822 -918 -509 -594 -389 -160 SS 20250415T151930.5Z 9236.638548 373 1 12.24 2 37.30 138.75 134.81 276.56 0.00 1 0.00 1 0 17 1.581e-02 8.404e-03 6.106e-03 3.711e-03 1.851162e-01 1.956188e-03 2.283282e-03 -6.000000e+00 9.415856e-03 228.61 -2.00 3.51 -2.00 315.42 0.00e+00 6.092396e-05 1.819047e-04 2.379017e-05 -6.000000e+00 4.110735e-04 280.37 -2.00 20.00 -2.00 314.82 0.00e+00 1.256 0.000 302.00 328.00 3 5.4264e+00 5.0428e-03 1.5862e-02 -6.0000e+00 2.3438e-02 2.6946e-03 5.6007e-03 9.5872e-03 -6.0000e+00 2.5378e-02 8.9567e-03 3.2032e-03 4.7190e-03 -6.0000e+00 1.5102e-02 -2.1265e-03 1.4147e-03 1.3202e-03 -6.0000e+00 6.3316e-03 5.4382e-04 -3.8881e-05 1.1400e-04 1.9081e-05 -6.0000e+00 4.7164e-04 -5.7183e-03 0.0000e+00 12 9 1 12 33 1 99.97 22.96 0.40 -0.00572 -0.00601 4 4 1 5 0 2445.930 26.21 20.02 22.96 23.32 37.8 1100.00 -4044 318 -2995 -5877 -3372 5640 -1398 8022 1542 450 -2595 -111 -1571 603 3798 -149 -1205 -298 3286 2409 -1051 893 3943 -2265 1255 -416 3250 525 -1276 516 -1194 2641 150 -1216 -1808 3072 -1648 -1460 -132 -636 -1886 -1525 -1466 -1670 -745 423 -1686 -883 -651 816 324 434 66 1361 842 328 1048 828 1216 895 607 1946 1310 1111 161 -1151 618 -447 968 717 208 391 -278 -269 -1035 12 564 1422 82 -512 -943 175 -1616 -538 -1638 98 -922 -236 -727 -159 -286 -648 790 700 1094 841 488 452 147 264 -491 -825 -1010 908 99 -1039 -573 -854 127 221 433 -193 -80 -269 25 141 965 -248 279 89 -1230 -236 171 462 92 335 624 1067 331 558 624 635 347 302 405 -194 271 29 -84 -1053 215 -448 -370 -568 -1095 89 -889 -1740 -910 1317 -347 1977 438 136 -812 -34 -507 207 1397 -61 -514 -129 1413 1068 -486 409 1771 -1090 610 -211 1615 259 -611 233 -543 1207 74 -617 -914 1451 -815 -780 -79 -426 -1378 -1165 -1148 -1324 -588 330 -1321 -676 -487 597 239 330 52 1102 703 279 899 714 1044 764 521 1700 1197 1062 158 -1122 566 -392 835 648 202 397 -290 -280 -1056 11 512 1207 68 -440 -867 171 -1681 -576 -1828 113 -1110 -292 -917 -200 -352 -765 873 734 1121 887 543 532 182 338 -627 -1019 -1196 1043 117 -1279 -731 -1120 170 302 611 -279 -116 -383 35 183 1200 -308 354 118 -1695 -331 239 636 124 438 791 1310 407 701 812 847 470 413 566 -279 401 43 -128 -1628 329 -676 -546 -832 SS 20250415T164242.9Z 9236.696330 429 1 3.46 2 30.83 173.98 149.44 294.73 0.00 1 0.00 1 0 25 8.241e-03 6.567e-03 2.511e-03 1.775e-03 1.757377e-01 9.430718e-04 2.162021e-03 -6.000000e+00 4.909169e-03 228.61 -2.00 3.51 -2.00 314.74 0.00e+00 3.230925e-05 7.690163e-05 3.046462e-05 -6.000000e+00 2.143063e-04 280.38 -2.00 20.00 -2.00 314.21 0.00e+00 1.164 0.000 302.00 328.00 3 3.0765e+00 2.4149e-03 1.4812e-02 -6.0000e+00 1.2220e-02 1.5951e-02 2.6737e-03 9.0481e-03 -6.0000e+00 1.3231e-02 -1.6437e-03 1.5297e-03 4.4559e-03 -6.0000e+00 7.8735e-03 -1.1520e-03 6.6101e-04 1.2477e-03 -6.0000e+00 3.3016e-03 6.3620e-03 -2.3432e-04 5.4103e-05 1.8671e-05 -6.0000e+00 2.4587e-04 -6.7863e-03 0.0000e+00 12 9 1 12 1 1 99.98 22.96 0.26 -0.00679 -0.00855 13 39 1 5 0 246.510 26.32 19.97 22.96 25.03 38.2 1100.00 -836 -1357 -1957 -3663 -946 -586 1099 2002 711 -397 18 179 531 1295 581 -244 -114 207 693 920 -436 1358 1396 1043 -67 249 -891 -98 190 598 1190 1439 1305 -1159 -655 420 253 -153 966 -310 -948 -616 -1441 -1292 -822 -774 -1357 -968 -943 506 444 256 567 972 874 565 652 199 416 475 1350 1124 1189 518 -599 -255 12 341 1128 1233 34 -165 -570 -277 -416 -175 228 359 780 -239 229 -830 -1514 -1136 -919 -1032 -531 -445 -413 -399 -438 390 222 1363 1188 1298 682 911 -403 -375 -297 -461 -81 877 163 -862 -331 -830 -76 -47 -113 -275 -379 -146 -311 470 528 708 773 36 -564 -249 -260 -208 172 312 610 1641 1014 329 481 -29 209 112 291 -295 -133 76 -245 -505 -195 -407 -150 -205 -287 -498 -739 -1361 -323 -188 348 669 259 -152 7 69 209 544 264 -118 -57 106 357 482 -234 725 744 568 -38 144 -521 -55 103 313 616 762 720 -665 -373 230 140 -91 629 -224 -739 -498 -1195 -1083 -689 -647 -1127 -788 -751 395 348 205 469 827 761 499 583 178 372 422 1197 1022 1121 508 -602 -252 11 308 1000 1138 34 -170 -599 -291 -428 -173 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