Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b5f0e9bc5736c127608d4acab592756",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 53.078,
"b": 53.078,
"c": 111.556,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [15.180,2.100],
"number_observations": 31724,
"number_observations_unique": 11062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.100],
"number_observations": 2087,
"number_observations_unique": 979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.473
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.761
}
]
},
{
"resolution_limits": [15.180,8.400],
"number_observations": 393,
"number_observations_unique": 156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 73.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}