Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f4263daed4924e078a20f511cc205e3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 122.11,
"b": 55.31,
"c": 73.49,
"alpha": 90.00,
"beta": 101.52,
"gamma": 90.00
},
"wavelengths": [1.11587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.010,2.700],
"number_observations_unique": 13108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 7.940
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.584
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.700],
"number_observations_unique": 976,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.604
},
{
"type": "R(meas)",
"value": 1.991
},
{
"type": "I/SigI",
"value": 0.570
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.608
},
{
"type": "CC(1/2)",
"value": 0.427
}
]
},
{
"resolution_limits": [2.850,2.770],
"number_observations_unique": 921,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.310
},
{
"type": "R(meas)",
"value": 1.626
},
{
"type": "I/SigI",
"value": 0.740
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.610
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
{
"resolution_limits": [2.930,2.850],
"number_observations_unique": 933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.978
},
{
"type": "R(meas)",
"value": 1.235
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.434
},
{
"type": "CC(1/2)",
"value": 0.611
}
]
},
{
"resolution_limits": [3.020,2.930],
"number_observations_unique": 889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.807
},
{
"type": "R(meas)",
"value": 1.000
},
{
"type": "I/SigI",
"value": 1.210
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.645
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [3.120,3.020],
"number_observations_unique": 851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "R(meas)",
"value": 0.800
},
{
"type": "I/SigI",
"value": 1.620
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.737
},
{
"type": "CC(1/2)",
"value": 0.747
}
]
},
{
"resolution_limits": [3.230,3.120],
"number_observations_unique": 851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "I/SigI",
"value": 2.310
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.710
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [3.350,3.230],
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 2.950
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.617
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [3.490,3.350],
"number_observations_unique": 772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 4.020
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.483
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.640,3.490],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 5.140
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.420
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.820,3.640],
"number_observations_unique": 717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 8.120
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.650
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [4.020,3.820],
"number_observations_unique": 675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 9.870
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.640
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.270,4.020],
"number_observations_unique": 645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 13.250
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.636
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.560,4.270],
"number_observations_unique": 602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 15.560
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.472
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.930,4.560],
"number_observations_unique": 568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 17.170
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.493
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.400,4.930],
"number_observations_unique": 515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.687
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.040,5.400],
"number_observations_unique": 475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 18.720
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 2.659
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.970,6.040],
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 19.910
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.398
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.540,6.970],
"number_observations_unique": 349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 26.640
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 2.579
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [12.070,8.540],
"number_observations_unique": 273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 29.880
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.553
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [72.010,12.070],
"number_observations_unique": 154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 29.310
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 2.370
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}