File name: Pandora55s1_QueensNY_20210609_L2Fit_fout2c11d20210101p1-8.txt File generation date: 20260625T185823.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c11p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v11d20210101.txt Level 1 file used: Pandora55s1_QueensNY_20210609_L1_smca1c11d20210101p1-8.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: 20210609 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: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0145 305.1546 305.2946 305.4346 305.5746 305.7145 305.8545 305.9945 306.1344 306.2744 306.4143 306.5542 306.6941 306.8340 306.9739 307.1138 307.2536 307.3935 307.5333 307.6732 307.8130 307.9528 308.0926 308.2324 308.3722 308.5120 308.6517 308.7915 308.9312 309.0710 309.2107 309.3504 309.4901 309.6298 309.7695 309.9091 310.0488 310.1884 310.3281 310.4677 310.6073 310.7469 310.8865 311.0261 311.1657 311.3053 311.4448 311.5844 311.7239 311.8634 312.0029 312.1424 312.2819 312.4214 312.5609 312.7003 312.8398 312.9792 313.1187 313.2581 313.3975 313.5369 313.6763 313.8156 313.9550 314.0944 314.2337 314.3730 314.5124 314.6517 314.7910 314.9303 315.0695 315.2088 315.3481 315.4873 315.6265 315.7658 315.9050 316.0442 316.1834 316.3226 316.4617 316.6009 316.7401 316.8792 317.0183 317.1574 317.2966 317.4357 317.5747 317.7138 317.8529 317.9919 318.1310 318.2700 318.4090 318.5481 318.6871 318.8260 318.9650 319.1040 319.2429 319.3819 319.5208 319.6598 319.7987 319.9376 320.0765 320.2153 320.3542 320.4931 320.6319 320.7708 320.9096 321.0484 321.1872 321.3260 321.4648 321.6036 321.7423 321.8811 322.0198 322.1586 322.2973 322.4360 322.5747 322.7134 322.8520 322.9907 323.1294 323.2680 323.4066 323.5453 323.6839 323.8225 323.9611 324.0996 324.2382 324.3768 324.5153 324.6538 324.7924 324.9309 --------------------------------------------------------------------------------------- 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 20210609T102052.8Z 7830.431166 75 1 50.35 2 81.24 67.15 74.62 75.63 0.00 1 0.00 1 0 25 6.332e-01 3.138e-02 1.974e-01 5.859e-03 8.054463e-01 3.514249e-03 8.990701e-03 -6.000000e+00 3.955903e-01 232.56 -2.00 3.51 -2.00 321.59 0.00e+00 6.239138e-03 1.867582e-03 2.320026e-03 -6.000000e+00 1.953479e-02 286.12 -2.00 20.00 -2.00 321.04 0.00e+00 6.200 0.004 302.00 328.00 3 1.8170e+00 1.2766e-02 7.8414e-02 -6.0000e+00 1.0013e+00 6.5370e-01 1.7357e-02 5.3290e-02 -6.0000e+00 1.0913e+00 -9.2185e-01 1.5169e-02 2.2523e-02 -6.0000e+00 6.4018e-01 3.8765e-01 6.9411e-03 1.1553e-02 -6.0000e+00 2.6319e-01 7.2910e-05 -2.4390e-03 1.7406e-04 1.2345e-04 -6.0000e+00 1.9855e-02 2.3501e-03 5.4303e-05 12 9 8 11 32 0 36.86 22.80 0.40 0.00235 -0.01598 31 6 1 5 0 1623.670 25.68 19.99 22.80 30.16 29.4 1100.00 -27770 900000 900000 -162280 -12849 900000 -172035 900000 -109760 900000 -183568 -126518 -166578 900000 900000 130124 -49571 900000 900000 900000 900000 -21661 900000 -63856 254363 -18974 900000 -26277 -54188 -4383 -44219 900000 -5244 -11213 37436 900000 -5416 16613 343506 900000 18389 87161 10191 6039 67652 199258 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8 8 10 0 0 83.67 22.80 0.27 0.00265 -0.00623 107 20 1 5 0 470.410 25.68 19.99 22.80 31.50 29.6 1100.00 -149122 312581 900000 -207122 -125900 900000 -196715 900000 -137089 -57186 -184741 -111872 -154267 -174848 900000 -37478 -63544 -39552 326603 28236 62397 -33399 13896 -50950 -8919 -32990 173683 -37351 -26985 -40430 -25253 32014 -10765 -20251 -5333 50912 -15727 -5414 9736 17947 -5434 5204 -7548 -5317 3291 16763 2730 5573 10583 4673 2815 1873 1436 9443 9803 6263 5687 4315 5094 4552 1161 6974 2545 454 4062 -1512 4575 -203 4431 1923 -282 36 1944 -1181 1469 -82 1662 2729 -609 -74 -1326 1767 -1781 -366 -2191 -944 -1973 -1213 -1261 -515 -476 98 757 532 1026 686 -341 101 -184 -1026 -608 -393 241 1175 -192 -1100 -1075 -404 -359 242 131 -1175 -300 -186 -215 279 1333 1343 463 -181 -1081 -499 733 546 -68 130 412 1985 618 -25 -17 549 521 486 333 -282 -59 86 -401 -654 -406 -324 84 94 -1057 654 900000 -3609 -981 900000 -3029 900000 -1491 -315 -3712 -1265 -3186 -5653 900000 -529 -1343 -755 683 338 566 -766 210 -1496 -191 -942 719 -1159 -764 -1370 -847 762 -452 -1030 -245 1374 -819 -290 541 1105 -478 457 -794 -575 338 1571 299 616 1176 583 389 290 248 1648 1840 1276 1212 945 1102 977 258 1550 650 133 1258 -512 1463 -68 1505 739 -123 17 920 -564 649 -34 628 985 -236 -32 -668 989 -1139 -250 -1600 -718 -1592 -1012 -1071 -432 -386 76 555 384 769 565 -319 105 -212 -1255 -743 -459 260 1193 -198 -1190 -1217 -474 -446 320 189 -1824 -482 -300 -340 428 1977 2002 715 -292 -1791 -821 1168 851 -103 193 596 2789 904 -39 -29 1005 998 966 690 -612 -132 195 -924 -1511 -919 -707 177 192 SS 20210609T104013.3Z 7830.444598 83 1 50.02 2 77.83 70.06 71.12 78.39 0.00 1 0.00 1 0 25 3.886e-01 1.044e-02 1.362e-01 2.027e-03 6.504740e-01 1.119947e-03 7.365990e-03 -6.000000e+00 2.370397e-01 232.56 -2.00 3.51 -2.00 320.60 0.00e+00 3.418547e-03 4.630647e-04 9.889414e-04 -6.000000e+00 1.065321e-02 286.12 -2.00 20.00 -2.00 319.95 0.00e+00 4.602 0.002 302.00 328.00 3 1.7098e+00 3.5313e-03 5.8267e-02 -6.0000e+00 5.9463e-01 7.1296e-02 4.5775e-03 3.6634e-02 -6.0000e+00 6.4211e-01 -6.1310e-02 4.2665e-03 1.7695e-02 -6.0000e+00 3.8020e-01 1.6261e-02 2.0921e-03 7.3809e-03 -6.0000e+00 1.5834e-01 4.6451e-04 -1.0921e-03 5.9298e-05 6.9927e-05 -6.0000e+00 1.1807e-02 2.2452e-03 3.9636e-05 12 8 8 10 0 0 66.81 22.80 0.10 0.00225 -0.00596 107 20 1 5 0 467.380 25.68 19.99 22.80 31.94 29.5 1100.00 -20913 80822 900000 -158316 -100736 900000 -158249 900000 -103059 14141 -143203 -85445 -122714 -135820 162433 -38824 -48087 -19731 124223 4817 62282 -18600 35859 -41185 1098 -24311 65967 -24891 -28859 -23246 -12585 19813 -12885 -16901 -7587 29317 -11340 1526 3837 9550 -5068 2080 -3986 -5311 2770 10643 1387 4408 9351 4991 -83 1348 -78 9029 6641 4575 3509 3331 2334 1582 381 5003 2735 -488 1737 -2188 3637 -433 4751 408 -553 -103 754 -1606 1125 -56 1192 3577 402 1298 -1399 1099 -1906 -477 -2448 -1125 -1684 -1106 -1105 -960 25 168 1253 827 1534 705 113 187 -282 -693 -394 -334 -65 1501 -251 -986 -1068 0 -390 374 195 -848 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