Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0370eb9c365f3ddb2e375d7f753c7ca1",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 65.01,
"b": 123.29,
"c": 133.14,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99987,1.74262],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.267,1.390],
"number_observations_unique": 80156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 24.1
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.488,1.390],
"number_observations_unique": 4007,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.028
},
{
"type": "R(meas)",
"value": 2.215
},
{
"type": "R(pim)",
"value": 0.877
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 69.8
},
{
"type": "Redundancy",
"value": 12.0
},
{
"type": "CC(1/2)",
"value": 0.445
}
]
},
{
"resolution_limits": [1.44,1.386],
"number_observations_unique": 10178,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.111
},
{
"type": "R(meas)",
"value": 6.44
},
{
"type": "I/SigI",
"value": 0.18
},
{
"type": "Completeness",
"value": 96
},
{
"type": "Redundancy",
"value": 10.1
},
{
"type": "CC(1/2)",
"value": 0.116
}
]
},
{
"resolution_limits": [2.135,2.061],
"number_observations_unique": 2952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3959
},
{
"type": "R(meas)",
"value": 0.4219
},
{
"type": "Completeness",
"value": 90
},
{
"type": "Redundancy",
"value": 9.1
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
}
]
}