Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a8dd0e7fffe8993cd47fa89140e1407",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.065,
"b": 70.154,
"c": 85.301,
"alpha": 102.56,
"beta": 96.34,
"gamma": 112.24
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.280,2.100],
"number_observations": 236373,
"number_observations_unique": 68850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 15918,
"number_observations_unique": 4470,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.288
},
{
"type": "R(meas)",
"value": 1.520
},
{
"type": "R(pim)",
"value": 0.798
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.388
}
]
},
{
"resolution_limits": [81.280,9.830],
"number_observations": 2595,
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}