Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "861f8256183a144606b9342cca14b976",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.297,
"b": 52.885,
"c": 44.537,
"alpha": 90.00,
"beta": 103.11,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.780,1.580],
"number_observations": 109505,
"number_observations_unique": 34396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 4183,
"number_observations_unique": 1708,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.404
},
{
"type": "R(meas)",
"value": 1.753
},
{
"type": "R(pim)",
"value": 1.031
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.294
}
]
},
{
"resolution_limits": [54.780,8.520],
"number_observations": 909,
"number_observations_unique": 247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}