File name: Pandora55s1_QueensNY_20240707_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T141340.6Z 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_20240707_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: 20240707 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 20240707T123631.7Z 8954.525367 141 1 50.46 2 57.67 87.00 73.52 73.57 0.00 1 0.00 1 0 25 8.392e-03 6.192e-03 5.841e-04 2.733e-04 2.589211e-01 1.454450e-04 3.109200e-03 -6.000000e+00 5.074176e-03 232.89 -2.00 3.51 -2.00 316.33 0.00e+00 -5.044195e-05 1.664991e-05 5.322053e-05 -6.000000e+00 2.260340e-04 288.89 -2.00 20.00 -2.00 315.53 0.00e+00 1.863 0.000 302.00 328.00 3 1.2411e+00 3.8166e-04 2.3174e-02 -6.0000e+00 1.2727e-02 -3.6731e-03 4.2470e-04 1.3599e-02 -6.0000e+00 1.3720e-02 -3.0596e-03 2.4396e-04 6.5702e-03 -6.0000e+00 8.1776e-03 -1.3711e-03 1.1140e-04 1.7834e-03 -6.0000e+00 3.4240e-03 1.7414e-02 -3.0799e-04 8.4209e-06 2.3841e-05 -6.0000e+00 2.5075e-04 1.2018e-03 0.0000e+00 10 0 0 10 0 0 99.57 22.79 0.20 0.00120 -0.00111 702 133 1 5 0 71.870 26.11 20.01 22.79 33.51 37.9 1100.00 -1120 -1335 -2767 -3354 -2033 -477 347 1205 984 -852 -165 562 1036 681 783 -483 -408 -156 453 471 -345 970 1101 960 521 244 -523 -659 311 1323 1327 1506 1471 -1058 -757 85 163 318 399 -661 -1241 -1099 -1232 -1130 -842 -732 -1091 -829 -775 338 572 570 799 714 505 461 772 279 638 796 1425 1264 1244 505 -546 -79 57 465 1318 935 214 -214 -653 -479 -733 -219 166 485 1229 251 86 -691 -1392 -1152 -964 -938 -630 -446 -377 -580 -115 296 357 1311 1420 1267 796 760 -390 -546 -483 -521 1 752 18 -750 -340 -800 -159 -131 -113 -352 -328 -168 -55 569 804 841 657 -59 -596 -421 -255 -314 154 200 479 1351 1015 416 475 -7 289 147 267 -284 -167 107 -413 -457 -210 -242 -222 87 -191 -254 -555 -658 -362 -78 57 216 197 -186 -37 125 230 172 224 -146 -131 -52 156 168 -120 358 409 347 200 99 -216 -264 117 501 507 575 608 -471 -333 36 70 144 203 -378 -766 -729 -852 -759 -566 -491 -764 -568 -518 221 382 403 573 541 382 360 613 225 509 626 1121 1038 1051 443 -503 -71 49 380 1114 822 202 -209 -665 -484 -711 -205 145 406 990 215 79 -658 -1405 -1238 -1052 -1054 -754 -541 -469 -720 -137 337 385 1346 1485 1346 900 917 -486 -716 -627 -657 1 866 22 -932 -432 -1070 -214 -179 -164 -522 -491 -242 -76 777 1034 1109 873 -81 -850 -616 -370 -444 215 276 626 1732 1303 546 645 -10 414 215 393 -431 -267 171 -675 -753 -341 -392 -346 136 SS 20240707T124530.6Z 8954.531604 144 1 23.58 2 55.97 88.42 71.95 74.86 0.00 1 0.00 1 0 17 2.985e-02 9.875e-03 7.090e-03 2.984e-03 2.491992e-01 1.586528e-03 2.968218e-03 -6.000000e+00 1.804970e-02 232.89 -2.00 3.51 -2.00 316.55 0.00e+00 -1.252195e-03 1.911124e-04 7.007582e-05 -6.000000e+00 8.041433e-04 288.89 -2.00 20.00 -2.00 315.72 0.00e+00 1.781 0.000 302.00 328.00 3 5.0541e+00 4.1778e-03 2.2205e-02 -6.0000e+00 4.5272e-02 2.3697e-02 4.6566e-03 1.3154e-02 -6.0000e+00 4.8806e-02 6.0856e-03 2.6913e-03 6.3201e-03 -6.0000e+00 2.9090e-02 -4.9357e-03 1.2460e-03 1.9466e-03 -6.0000e+00 1.2178e-02 4.1824e-04 -3.1903e-04 9.2165e-05 2.3559e-05 -6.0000e+00 8.9213e-04 2.3598e-03 0.0000e+00 12 9 9 12 33 1 99.96 22.81 0.10 0.00236 -0.00004 7 3 1 5 0 2945.420 26.11 20.00 22.81 34.31 37.9 1100.00 -6222 -8533 15101 -12516 -6669 6734 2810 14054 5045 -1595 152 -2699 825 -4820 7899 -2386 -4280 9307 4885 1532 -2348 1337 1769 -2387 33 2 -1682 -305 -1245 -569 130 1257 1165 -3463 -987 4751 -2309 -1266 1107 780 -1269 -2253 -2188 -1934 -1238 2027 -2515 1539 -565 1299 -74 -189 -916 -99 2018 896 2412 1079 2277 507 2146 1702 1584 -825 244 -2136 851 -282 1567 979 -207 828 294 -1109 775 73 2 1386 609 -297 -901 -368 -1722 -1352 -1532 -238 -1416 -383 14 -261 -142 -364 70 897 887 978 -567 524 -699 -10 -598 -814 -486 987 544 -600 -94 -1253 368 632 204 -694 273 -209 -27 119 303 1054 601 -63 -1148 -243 44 595 147 37 -224 1296 633 185 906 328 654 49 829 -279 134 182 -335 -710 -141 -251 -588 -381 -978 -1505 2235 -2298 -1084 913 403 1990 863 -308 30 -542 171 -1160 1893 -679 -1302 2616 1468 488 -789 441 587 -847 12 1 -656 -115 -451 -197 45 452 446 -1427 -396 1769 -927 -553 542 434 -784 -1480 -1476 -1320 -841 1344 -1706 997 -365 824 -48 -128 -653 -73 1511 690 1876 852 1778 398 1670 1363 1331 -739 222 -1952 728 -232 1277 846 -193 807 293 -1115 748 68 2 1121 487 -248 -810 -354 -1768 -1441 -1693 -272 -1699 -472 17 -325 -173 -424 77 935 911 1040 -645 630 -895 -13 -782 -1028 -585 1153 650 -752 -122 -1679 502 886 297 -1041 410 -309 -39 161 396 1366 798 -87 -1660 -356 65 851 205 50 -297 1659 813 245 1244 466 944 72 1237 -431 213 294 -551 -1173 -230 -404 -926 -593 SS 20240707T125055.6Z 8954.535365 148 1 50.53 2 54.94 89.29 70.99 75.64 0.00 1 0.00 1 0 25 1.260e-02 6.425e-03 2.491e-03 1.014e-03 2.424297e-01 5.372860e-04 2.909130e-03 -6.000000e+00 7.618526e-03 232.89 -2.00 3.51 -2.00 316.70 0.00e+00 -2.218888e-05 6.727904e-05 5.305333e-05 -6.000000e+00 3.393576e-04 288.89 -2.00 20.00 -2.00 315.87 0.00e+00 1.736 0.000 302.00 328.00 3 3.7845e+00 1.4182e-03 2.1653e-02 -6.0000e+00 1.9109e-02 8.9199e-03 1.5818e-03 1.2773e-02 -6.0000e+00 2.0599e-02 4.0085e-03 9.1574e-04 6.1691e-03 -6.0000e+00 1.2278e-02 -4.5016e-03 4.2686e-04 1.6737e-03 -6.0000e+00 5.1413e-03 1.5792e-03 -1.5585e-04 3.1468e-05 2.1890e-05 -6.0000e+00 3.7645e-04 6.9577e-04 0.0000e+00 11 8 0 10 0 0 99.99 22.80 0.21 0.00070 -0.00048 173 33 1 5 0 291.990 26.11 19.98 22.80 34.59 38.0 1100.00 656 -4152 3118 -5819 -480 1499 795 5662 612 262 -2219 1740 -1003 487 1255 436 -1575 -4731 1558 839 -972 956 1807 -791 1133 -419 1651 -1285 1056 238 2002 2102 1020 -1145 -1194 2040 -644 453 58 39 -1806 -918 -1858 -1238 -741 -568 -1076 -987 -228 153 1037 69 438 874 861 666 890 485 707 736 1069 1827 1146 384 -526 -358 340 266 1304 1146 424 -116 -250 -671 -360 -433 420 527 1298 175 -146 -476 -1547 -951 -1021 -899 -958 -275 -468 -578 -207 207 340 995 1498 1056 667 647 -125 -527 -375 -547 -14 759 106 -717 -424 -692 -180 182 -54 -278 -379 -109 -196 501 678 834 637 -85 -591 -560 -113 -160 205 78 482 1231 946 307 483 11 347 254 272 -215 -206 223 -445 -412 -350 -147 -227 38 94 -682 496 -977 -72 206 111 826 103 47 -414 317 -199 106 304 116 -450 -1437 462 258 -311 304 573 -264 391 -152 596 -463 356 78 649 716 374 -445 -460 744 -244 187 27 21 -1083 -577 -1211 -817 -487 -374 -705 -635 -143 95 652 46 302 625 635 502 682 375 545 562 818 1432 949 337 -476 -319 287 215 1044 969 388 -112 -247 -664 -346 -397 357 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