File name: Pandora64s1_NewHavenCT_20230708_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230710T061513.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230708_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20230708 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20230708T131341.4Z 8589.551173 290 1 3.95 2 50.00 94.21 67.70 241.33 0.00 1 0.00 1 0 17 1.056e-02 7.679e-03 2.525e-03 1.465e-03 2.207864e-01 8.038158e-04 2.678019e-03 -6.000000e+00 6.511108e-03 232.95 -2.00 3.52 -2.00 315.65 0.00e+00 1.623953e-04 7.942531e-05 5.897754e-05 -6.000000e+00 2.887535e-04 288.64 -2.00 20.00 -2.00 314.92 0.00e+00 1.553 0.000 302.00 328.00 3 2.7027e+00 2.0918e-03 1.9545e-02 -6.0000e+00 1.6344e-02 1.4818e-02 2.3132e-03 1.1634e-02 -6.0000e+00 1.7582e-02 -6.5516e-04 1.3213e-03 5.6238e-03 -6.0000e+00 1.0465e-02 -2.5588e-03 5.9052e-04 1.5309e-03 -6.0000e+00 4.4303e-03 5.7747e-03 -4.3290e-04 4.5087e-05 2.1521e-05 -6.0000e+00 3.1454e-04 -6.6559e-03 -9.4609e-07 12 9 1 12 1 1 37.23 21.35 0.15 -0.00666 -0.00991 16 52 1 5 0 221.880 25.90 19.96 21.35 31.65 38.8 1066.10 462 -517 812 -1875 -5046 -1408 -513 603 1721 389 -2806 -1094 -432 -120 849 691 -603 879 191 1645 703 -120 1098 1142 65 1268 340 -704 -779 234 1497 -4 2129 352 -4371 -1729 -1712 -1164 263 -104 -1217 -1099 -424 -971 -509 -419 -317 -470 -865 -607 1075 1096 767 1293 179 820 1208 852 411 567 537 1068 1308 1893 659 -1074 -210 -1214 445 1643 274 382 -382 805 329 -744 -505 -2074 -435 -346 -932 -638 -1913 -1975 -507 -517 -244 -30 809 358 191 503 -611 267 1062 506 -152 1109 459 -640 -340 -1322 -1521 177 439 -1346 -339 -648 -88 335 564 297 223 237 -156 -142 578 -186 375 185 -122 -292 577 13 947 988 -454 564 824 409 607 -275 -499 -304 376 -63 -654 301 -77 -534 180 -750 118 -129 199 -464 -1178 -318 -123 159 450 106 -774 -315 -138 -43 312 271 -245 367 83 725 314 -54 472 514 31 604 159 -309 -348 104 697 -2 1035 172 -2095 -843 -932 -690 171 -72 -909 -804 -316 -724 -378 -325 -238 -346 -626 -445 824 840 618 1084 146 681 1009 707 339 472 467 992 1225 1829 617 -986 -183 -1062 419 1619 277 396 -392 781 309 -670 -442 -1800 -380 -321 -914 -681 -2078 -2265 -593 -614 -302 -37 997 436 215 540 -644 280 1132 568 -180 1416 579 -817 -408 -1558 -1763 215 548 -1708 -449 -862 -123 471 817 423 314 320 -204 -179 737 -240 518 258 -172 -405 774 17 1240 1235 -576 702 1089 549 846 -378 -705 -433 564 -95 -1012 471 -120 -812 274 -1120 SS 20230708T131720.6Z 8589.553711 293 1 2.90 2 49.32 94.86 68.27 242.06 0.00 1 0.00 1 0 17 1.069e-02 7.693e-03 1.457e-03 8.566e-04 2.165790e-01 4.699307e-04 2.622448e-03 -6.000000e+00 6.588669e-03 232.95 -2.00 3.52 -2.00 315.61 0.00e+00 3.273124e-04 4.574905e-05 4.140367e-05 -6.000000e+00 2.921842e-04 288.64 -2.00 20.00 -2.00 314.87 0.00e+00 1.531 0.000 302.00 328.00 3 1.3856e+00 1.2214e-03 1.9230e-02 -6.0000e+00 1.6539e-02 4.9166e-03 1.3503e-03 1.1404e-02 -6.0000e+00 1.7791e-02 6.4975e-04 7.7276e-04 5.5139e-03 -6.0000e+00 1.0590e-02 -3.2504e-03 3.4509e-04 1.5131e-03 -6.0000e+00 4.4834e-03 2.2265e-02 -3.3618e-04 2.6349e-05 2.0454e-05 -6.0000e+00 3.1826e-04 -7.4124e-03 -1.1237e-05 12 9 1 12 1 1 70.14 21.35 0.18 -0.00741 -0.00994 48 209 1 5 0 55.510 25.90 19.97 21.35 31.68 38.8 1066.11 603 -605 -256 -2758 -4683 -1206 -3 1415 618 489 -3374 -928 128 34 560 936 -971 1211 293 1779 942 -124 915 991 559 1146 662 -842 -646 677 1704 147 2192 294 -4392 -1913 -1448 -876 170 -141 -1271 -1210 -605 -857 -475 -209 -952 -373 -624 -329 1193 986 770 1431 129 722 1073 585 253 459 632 1268 966 1980 587 -1433 -183 -1419 750 1524 355 362 -234 432 199 -740 -416 -1665 -447 -164 -1199 -725 -1987 -1851 -440 -452 76 43 681 346 377 552 -488 85 1039 317 -120 894 626 -484 -333 -1458 -1447 95 518 -1333 -325 -749 -276 145 752 253 281 90 -84 74 637 -183 434 362 -133 -335 620 -38 808 1094 -713 727 961 404 562 -370 -730 -358 289 -63 -597 190 73 -400 -6 -539 149 -158 -67 -666 -1141 -285 -1 358 171 139 -976 -279 43 12 215 381 -385 490 123 761 408 -54 409 464 272 567 320 -384 -280 291 767 71 1104 148 -2182 -968 -764 -505 108 -102 -930 -916 -467 -661 -365 -159 -705 -269 -441 -236 894 781 608 1175 109 619 926 503 215 395 540 1156 896 1884 542 -1298 -164 -1220 691 1480 353 370 -236 434 185 -655 -357 -1411 -403 -157 -1215 -763 -2132 -2095 -509 -553 93 54 833 417 436 612 -506 88 1142 368 -147 1133 813 -611 -411 -1702 -1659 114 641 -1746 -427 -992 -382 203 1081 360 392 120 -109 92 804 -235 595 502 -187 -463 859 -51 1053 1357 -900 898 1259 539 778 -507 -1029 -508 433 -95 -921 298 114 -608 -8 -803 SS 20230708T132526.1Z 8589.559330 296 1 48.42 2 47.80 96.32 69.56 243.65 0.00 1 0.00 1 0 17 1.340e-02 8.097e-03 2.368e-03 1.158e-03 2.126074e-01 6.311992e-04 2.556104e-03 -6.000000e+00 8.266092e-03 232.95 -2.00 3.52 -2.00 316.21 0.00e+00 2.687352e-04 7.047797e-05 9.464203e-05 -6.000000e+00 3.665347e-04 288.64 -2.00 20.00 -2.00 315.43 0.00e+00 1.486 0.000 302.00 328.00 3 4.6194e+00 1.6543e-03 1.8748e-02 -6.0000e+00 2.0750e-02 3.2900e-02 1.8357e-03 1.1197e-02 -6.0000e+00 2.2318e-02 4.2826e-03 1.0555e-03 5.4055e-03 -6.0000e+00 1.3284e-02 -5.9073e-03 4.8257e-04 1.4723e-03 -6.0000e+00 5.6262e-03 9.1151e-04 1.7899e-04 3.5889e-05 1.9320e-05 -6.0000e+00 3.9900e-04 -7.7674e-03 7.2643e-05 11 8 0 10 0 0 99.99 21.32 0.04 -0.00777 -0.00642 118 28 1 5 0 410.260 25.79 20.02 21.32 32.23 39.0 1070.57 309 467 396 -1886 -10218 136 687 1207 1904 970 -2430 -784 -453 -413 967 1146 -857 1670 304 1655 808 -235 1204 1039 735 699 466 -1183 -642 138 1929 -22 1898 -406 -3936 -2727 -1569 -1620 6 -233 -805 -999 -278 -1343 -650 -186 -660 -566 -716 -752 1300 1274 797 1304 488 580 1144 382 99 419 637 1209 1332 2137 1009 -1515 -362 -1249 602 1579 480 546 -143 559 137 -821 -711 -2312 -753 -268 -1335 -760 -1962 -2015 -268 -132 277 171 1044 565 123 422 -999 -291 611 525 -175 1218 579 -515 -525 -1458 -1669 133 356 -1402 -287 -360 -331 492 861 570 259 20 -356 -258 469 -296 286 489 -51 -163 511 62 845 800 -1015 536 917 253 539 -586 -574 -369 538 -62 -362 367 361 -575 83 -819 59 93 79 -370 -1989 24 129 250 400 210 -535 -180 -116 -118 304 382 -298 590 106 586 290 -85 444 402 295 286 186 -473 -242 52 752 -8 784 -169 -1589 -1135 -721 -869 3 -155 -543 -699 -198 -962 -461 -130 -450 -396 -491 -524 894 923 607 1034 395 479 949 316 81 347 522 1057 1235 2035 929 -1310 -310 -1072 529 1526 474 553 -143 558 127 -723 -580 -1864 -643 -242 -1338 -788 -2161 -2241 -316 -158 344 216 1293 693 139 457 -1018 -295 657 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