Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa9f3d043066d6ef22db8769d2c406e6",
"space_group_name": "P 65",
"unit_cell": {
"a": 54.036,
"b": 54.036,
"c": 245.493,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.100,2.100],
"number_observations": 221286,
"number_observations_unique": 23608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 15127,
"number_observations_unique": 1862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.711
},
{
"type": "R(meas)",
"value": 0.760
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [49.100,8.900],
"number_observations": 2991,
"number_observations_unique": 330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}