Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a89efce1d30a8398126cd8d9ea3e2fb",
"space_group_name": "P 61",
"unit_cell": {
"a": 98.82,
"b": 98.82,
"c": 81.11,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.95],
"number_observations_unique": 32266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 17.95
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 7.1
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.95],
"number_observations_unique": 2432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.643
},
{
"type": "I/SigI",
"value": 3.51
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 7.03
}
]
},
{
"resolution_limits": [2.06,2.00],
"number_observations_unique": 2330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 4.22
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 7.06
}
]
},
{
"resolution_limits": [2.12,2.06],
"number_observations_unique": 2263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 5.43
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 7.04
}
]
},
{
"resolution_limits": [2.18,2.12],
"number_observations_unique": 2215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 6.67
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [2.25,2.18],
"number_observations_unique": 2123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 8.32
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 7.11
}
]
}
]
}