Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "642329d57c78019ea91a5f8fbd56ea40",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 119.874,
"b": 57.570,
"c": 47.631,
"alpha": 90.00,
"beta": 94.03,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.540,1.800],
"number_observations_unique": 30021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 36.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations_unique": 1758,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.042
},
{
"type": "R(meas)",
"value": 1.057
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 36.800
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [38.540,9.000],
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 29.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}