Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9da61f399e0712639e013430648a1339",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.507,
"b": 72.642,
"c": 52.596,
"alpha": 90.00,
"beta": 108.65,
"gamma": 90.00
},
"wavelengths": [0.91842],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.117,1.450],
"number_observations": 231944,
"number_observations_unique": 57269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 17.690
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.05
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.450],
"number_observations": 30694,
"number_observations_unique": 8853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.414
},
{
"type": "I/SigI",
"value": 3.130
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [1.640,1.540],
"number_observations": 36579,
"number_observations_unique": 8754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 5.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.770,1.640],
"number_observations": 34107,
"number_observations_unique": 8124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.940,1.770],
"number_observations": 31394,
"number_observations_unique": 7491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 14.250
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.170,1.940],
"number_observations": 28356,
"number_observations_unique": 6795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 22.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.500,2.170],
"number_observations": 24900,
"number_observations_unique": 6019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 27.570
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.060,2.500],
"number_observations": 20845,
"number_observations_unique": 5062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 34.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.320,3.060],
"number_observations": 15984,
"number_observations_unique": 3942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 42.590
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.117,4.320],
"number_observations": 9085,
"number_observations_unique": 2229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 46.240
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}