File name: Pandora64s1_NewHavenCT_20241215_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241216T045144.9Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241215_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: 20241215 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 20241215T125810.2Z 9115.540396 294 1 48.10 2 83.54 129.01 92.28 310.73 0.00 1 0.00 1 0 25 6.291e-01 4.421e-02 2.040e-01 1.258e-02 8.858586e-01 7.248783e-03 1.152998e-02 -6.000000e+00 3.730261e-01 222.74 -2.00 3.52 -2.00 321.81 0.00e+00 5.315520e-02 3.106257e-03 5.923594e-03 -6.000000e+00 1.641810e-02 276.83 -2.00 20.00 -2.00 321.38 0.00e+00 8.053 0.010 302.00 328.00 3 8.7858e-01 2.3941e-02 1.2147e-01 -6.0000e+00 9.1744e-01 1.7774e+00 2.6819e-02 1.3504e-01 -6.0000e+00 9.9653e-01 -2.1566e+00 1.6359e-02 2.2596e-02 -6.0000e+00 5.9396e-01 8.8091e-01 8.9948e-03 4.7202e-02 -6.0000e+00 2.5378e-01 2.1249e-05 -5.0456e-03 3.3164e-04 6.2303e-04 -6.0000e+00 1.8684e-02 2.9654e-03 -1.2665e-04 12 8 8 10 0 0 92.33 21.20 0.05 0.00297 -0.03495 29 7 1 5 0 1657.960 25.68 20.00 21.20 0.35 36.6 910.43 160304 227468 175197 209183 -77777 93698 31470 102350 81578 257227 -70980 61193 19768 73690 91855 163099 96010 158548 92825 205073 50963 900000 129669 122704 9493 90679 -48825 43203 1156 -32636 22932 83664 50797 73505 54389 85238 38896 36388 35469 36616 60774 72320 53604 -524 37691 42340 56943 23711 42073 159 99799 23474 106472 24233 60269 19250 26026 6709 52630 2052 29538 13581 51908 -842 69235 20590 35442 30119 27320 8783 19958 6255 8035 1270 7613 -6566 27732 -13160 -1137 4926 4529 -5542 -623 -6780 1483 -7717 1227 -1387 4909 633 -5005 -4795 -17939 -15418 -8467 -601 -5349 -1073 3454 794 -1541 1589 -7991 -4066 -7759 -6752 -5532 3974 -7216 255 -1117 -1243 -1900 1283 -3043 -2970 -334 1226 206 5201 1430 5774 3527 6643 4136 4288 -1909 3021 1341 1548 1686 1270 -182 -189 120 -428 -790 66 237 -443 -1012 -3238 6773 5581 7079 4981 -20036 3989 1694 2276 1751 3155 -4789 1548 1070 3403 4706 5252 5889 5835 6073 4560 4064 900000 3480 2728 493 1947 -3560 1457 64 -3069 1754 4166 3922 4402 3414 3856 2582 2494 2508 2616 3421 3937 3520 -59 3209 3666 4520 2650 4341 25 6553 3295 7068 3485 6045 2558 3193 878 4443 280 3538 2073 6630 -196 8843 3985 6014 5521 5604 2257 4978 1668 2064 314 1567 -1414 4234 -3336 -311 1466 1573 -2405 -275 -3301 699 -4145 624 -732 2405 309 -2414 -2214 -9486 -8780 -5352 -403 -4485 -1003 3330 774 -1424 1258 -6337 -3132 -6591 -5938 -5215 3764 -8316 314 -1568 -1854 -2885 1854 -4458 -4313 -492 1869 334 8076 2217 8131 4913 8669 5398 5510 -2619 4416 2342 2944 3574 2914 -453 -478 322 -1188 -2210 185 644 -1136 -2535 -7731 SS 20241215T130848.5Z 9115.547784 297 1 48.49 2 82.01 130.93 93.71 312.45 0.00 1 0.00 1 0 25 4.753e-01 2.999e-02 2.049e-01 5.501e-03 7.974400e-01 3.121330e-03 9.756550e-03 -6.000000e+00 2.816563e-01 222.74 -2.00 3.52 -2.00 321.65 0.00e+00 3.017285e-02 1.544034e-03 1.065785e-03 -6.000000e+00 1.236392e-02 276.83 -2.00 20.00 -2.00 321.21 0.00e+00 6.729 0.006 302.00 328.00 3 1.2648e+00 1.0723e-02 8.2039e-02 -6.0000e+00 6.9297e-01 8.7526e-01 1.3364e-02 5.9977e-02 -6.0000e+00 7.5287e-01 -1.1467e+00 1.1662e-02 2.6608e-02 -6.0000e+00 4.4862e-01 4.8318e-01 5.6502e-03 2.9003e-02 -6.0000e+00 1.9144e-01 7.1214e-05 -3.0470e-03 1.5495e-04 4.1587e-04 -6.0000e+00 1.4111e-02 1.9975e-03 -7.5909e-05 12 8 8 10 0 0 88.45 21.20 0.15 0.00200 -0.02090 65 16 1 5 0 745.810 25.68 20.00 21.20 0.73 36.4 911.48 -17927 89350 -44346 28941 -206413 -21095 -108710 -15985 -102985 27129 -111562 161745 -55050 23699 -4304 91032 14700 176586 40038 108295 26046 243421 41238 57269 -10472 59525 -36535 26880 -3611 -36817 19923 71013 50621 87216 46572 32949 41844 42508 36251 44258 47780 31438 53183 31699 40658 42093 53718 26593 46040 18370 52638 53050 59707 28980 39855 11145 21625 4884 23374 6690 25149 9057 30769 13053 33949 15118 22191 13470 19223 7642 11811 3299 7370 -523 4176 -3730 10440 -7731 522 1571 -258 -2811 -788 -4501 -1666 -2878 563 -2554 374 -763 -1785 -3934 -7331 -7178 -4865 -2616 -3812 124 49 194 -1221 -120 -5429 -1682 -3061 -2675 -3401 -611 -2670 -528 -807 -570 -934 -194 -1416 -597 -197 777 1078 2514 1670 3190 2402 2872 2250 3409 -1146 1814 1622 1237 942 789 89 93 404 -469 -974 30 303 -595 -844 -2556 -361 679 -1208 362 -19690 -321 -3229 -186 -2670 182 -3042 867 -1525 413 -129 1261 486 1378 1145 1549 792 1306 903 973 -323 878 -1388 553 -111 -1942 766 1936 1923 2300 1686 1355 1664 1843 1863 2295 2520 2051 2971 2106 2798 3010 3601 2304 3476 1971 4430 4815 5370 3706 4538 1664 2837 727 2825 980 3320 1603 5040 2670 6289 3343 4697 3008 4514 2246 3484 1062 2154 -152 1040 -920 2403 -2159 160 575 -112 -1410 -415 -2414 -924 -1692 332 -1573 221 -435 -1032 -2237 -4331 -4340 -3369 -2101 -3623 130 51 198 -1248 -108 -4802 -1476 -2902 -2642 -3663 -657 -3314 -728 -1237 -913 -1504 -302 -2152 -890 -303 1239 1802 4176 2702 4854 3576 4100 3149 4622 -1628 2780 2711 2337 1970 1667 201 224 1031 -1243 -2620 80 792 -1477 -1968 -5707 SS 20241215T131954.4Z 9115.555491 300 1 48.45 2 80.46 132.97 95.16 314.29 0.00 1 0.00 1 0 25 5.361e-01 1.181e-02 6.968e-02 2.051e-03 7.188192e-01 1.141902e-03 8.297821e-03 -6.000000e+00 3.176989e-01 222.74 -2.00 3.52 -2.00 321.15 0.00e+00 6.471888e-03 5.320879e-04 2.140734e-03 -6.000000e+00 1.394507e-02 276.83 -2.00 20.00 -2.00 320.68 0.00e+00 5.752 0.003 302.00 328.00 3 8.4503e-01 3.7180e-03 6.8637e-02 -6.0000e+00 7.8165e-01 1.4942e-01 5.0753e-03 3.8886e-02 -6.0000e+00 8.4919e-01 -1.8419e-01 5.2959e-03 2.3659e-02 -6.0000e+00 5.0601e-01 6.9838e-02 2.5426e-03 1.0624e-02 -6.0000e+00 2.1596e-01 3.5771e-04 -9.0935e-04 5.9432e-05 1.4587e-04 -6.0000e+00 1.5916e-02 1.4140e-03 -7.8584e-05 12 9 8 11 8 0 92.31 21.20 0.21 0.00141 -0.00542 189 45 1 5 0 256.310 25.68 19.99 21.20 0.98 36.6 913.39 -169554 -182021 -137178 -199092 -279695 -185473 -158888 -157504 -139789 -130071 -137280 -105529 -101577 -81831 -75425 -44517 -61460 -9968 -36427 -24638 -30285 2463 -20037 -22130 -29628 -9364 -31444 -15250 -30942 -28169 -23335 730 -5077 9357 -11317 349 -10505 9822 -1544 13726 2941 8410 3584 6168 1906 12049 4318 10865 3944 4696 9885 9296 8799 6948 5307 4304 1255 3251 3495 3043 3495 3754 5687 3721 5215 1692 2097 1521 3287 3155 2001 1618 810 -200 -577 -1897 531 -2386 -378 -266 -744 -1085 -1687 -2809 -593 -969 216 -182 1025 157 -259 -728 -1310 -1609 115 -377 -274 679 862 -550 -203 -1879 -2293 -316 56 -1752 -564 -740 -198 215 565 -12 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