Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd738c2d383a0cfe3932a95159623887",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.492,
"b": 65.307,
"c": 84.430,
"alpha": 90.0,
"beta": 93.5,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.590,2.160],
"number_observations": 132891,
"number_observations_unique": 40265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.160],
"number_observations": 9965,
"number_observations_unique": 2958,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.021
},
{
"type": "R(meas)",
"value": 1.212
},
{
"type": "R(pim)",
"value": 0.648
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.478
}
]
},
{
"resolution_limits": [68.590,9.660],
"number_observations": 1656,
"number_observations_unique": 489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
}
]
}