Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "50ef8774ae42670a8ffbba674b4c3666",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 146.300,
"b": 146.300,
"c": 31.514,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.160,2.400],
"number_observations": 300922,
"number_observations_unique": 15293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 26552,
"number_observations_unique": 1582,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.168
},
{
"type": "R(meas)",
"value": 2.237
},
{
"type": "R(pim)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [73.160,8.990],
"number_observations": 5997,
"number_observations_unique": 330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}