Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ccc99018b6deeb38d5f7aa368c8e5c6b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.019,
"b": 118.797,
"c": 123.848,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.16],
"number_observations_unique": 30962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 15.83
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.12
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.29,2.16],
"number_observations_unique": 4907,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.061
},
{
"type": "R(meas)",
"value": 3.18
},
{
"type": "CC(1/2)",
"value": 0.44
}
]
},
{
"resolution_limits": [2.45,2.29],
"number_observations_unique": 4607,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.693
},
{
"type": "R(meas)",
"value": 1.759
},
{
"type": "CC(1/2)",
"value": 0.72
}
]
},
{
"resolution_limits": [2.64,2.45],
"number_observations_unique": 4336,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.002
},
{
"type": "R(meas)",
"value": 1.044
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [2.89,2.64],
"number_observations_unique": 3993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.513
},
{
"type": "CC(1/2)",
"value": 0.96
}
]
},
{
"resolution_limits": [3.23,2.89],
"number_observations_unique": 3627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.73,3.23],
"number_observations_unique": 3232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.56,3.73],
"number_observations_unique": 2761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.41,4.56],
"number_observations_unique": 2200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10,6.41],
"number_observations_unique": 1318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}