Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca4006fc746fac1b9b32f2f4e8ac9321",
"space_group_name": "P 1",
"unit_cell": {
"a": 33.586,
"b": 43.985,
"c": 65.305,
"alpha": 88.97,
"beta": 84.94,
"gamma": 80.01
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.010,2.150],
"number_observations_unique": 35318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.150],
"number_observations": 10294,
"number_observations_unique": 2644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.658
},
{
"type": "R(meas)",
"value": 0.762
},
{
"type": "R(pim)",
"value": 0.384
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [36.010,6.800],
"number_observations": 2203,
"number_observations_unique": 561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.200
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}