Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e314e3e26dbab7a3ecfd95fb2e6a79ea",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.94,
"b": 75.80,
"c": 71.65,
"alpha": 90.00,
"beta": 111.59,
"gamma": 90.00
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.28],
"number_observations_unique": 137315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 7.51
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 4.67
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.36,1.28],
"number_observations_unique": 9520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.36
},
{
"type": "R(meas)",
"value": 0.509
},
{
"type": "CC(1/2)",
"value": 0.77
}
]
},
{
"resolution_limits": [1.45,1.36],
"number_observations_unique": 9721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [1.57,1.45],
"number_observations_unique": 8796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "CC(1/2)",
"value": 0.95
}
]
},
{
"resolution_limits": [1.72,1.57],
"number_observations_unique": 7894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.92,1.72],
"number_observations_unique": 6881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.22,1.92],
"number_observations_unique": 5537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.71,2.22],
"number_observations_unique": 5659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.83,2.71],
"number_observations_unique": 4243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50,3.83],
"number_observations_unique": 2086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}