Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3048c4c93c1413721e868b0f8162e847",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.659,
"b": 132.100,
"c": 85.805,
"alpha": 90.0,
"beta": 91.4,
"gamma": 90.0
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.0100,2.940],
"number_observations_unique": 28583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(meas)",
"value": 0.313
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [3.120,2.940],
"number_observations": 17566,
"number_observations_unique": 4592,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.073
},
{
"type": "R(meas)",
"value": 2.412
},
{
"type": "R(pim)",
"value": 1.227
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.409
}
]
},
{
"resolution_limits": [46.920,8.820],
"number_observations": 4000,
"number_observations_unique": 1091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}