Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2881470c62938639b25321159b4950e",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 70.03,
"b": 89.30,
"c": 97.98,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.670,2.350],
"number_observations": 167417,
"number_observations_unique": 13129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.350],
"number_observations": 12326,
"number_observations_unique": 958,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.693
},
{
"type": "R(meas)",
"value": 1.763
},
{
"type": "R(pim)",
"value": 0.489
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.617
}
]
},
{
"resolution_limits": [30.670,10.510],
"number_observations": 1239,
"number_observations_unique": 166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 31.800
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}