Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79550aa2de153edd9c14aa7dba9970cd",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 129.830,
"b": 129.830,
"c": 114.441,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.63090],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.5340,2.700],
"number_observations_unique": 29068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 29666,
"number_observations_unique": 3868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
"value": 0.445
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [19.530,8.950],
"number_observations": 4347,
"number_observations_unique": 760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}