Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "56cf03a461cc8397195cbb30581c9f46",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.39,
"b": 57.49,
"c": 67.59,
"alpha": 90.963,
"beta": 108.595,
"gamma": 102.719
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.18,1.25],
"number_observations_unique": 161460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [40.18,6.85],
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.27,1.25],
"number_observations_unique": 6793,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.611
},
{
"type": "R(meas)",
"value": 2.031
},
{
"type": "R(pim)",
"value": 1.211
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 82.2
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.337
}
]
}
]
}