Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0addcad66d070e0f103e64546276e834",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.275,
"b": 72.925,
"c": 52.684,
"alpha": 90.00,
"beta": 109.34,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.72,1.250],
"number_observations": 370382,
"number_observations_unique": 89045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 18.780
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.159
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.250],
"number_observations": 57902,
"number_observations_unique": 14283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.481
},
{
"type": "I/SigI",
"value": 3.380
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [1.420,1.330],
"number_observations": 55354,
"number_observations_unique": 13479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 4.950
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [1.530,1.420],
"number_observations": 52184,
"number_observations_unique": 12592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 7.770
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [1.680,1.530],
"number_observations": 48523,
"number_observations_unique": 11605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 12.050
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.870,1.680],
"number_observations": 44149,
"number_observations_unique": 10493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 19.160
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.160,1.870],
"number_observations": 39076,
"number_observations_unique": 9261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 31.230
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.650,2.160],
"number_observations": 33196,
"number_observations_unique": 7849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 40.160
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.740,2.650],
"number_observations": 25829,
"number_observations_unique": 6084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 51.570
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.72,3.740],
"number_observations": 14169,
"number_observations_unique": 3399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 58.910
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}