Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ff7c046ea39260e492c6e606f2d1062",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.139,
"b": 77.629,
"c": 54.953,
"alpha": 90.0,
"beta": 114.2,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28,2.25],
"number_observations_unique": 112322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.33,2.25],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 2.38
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [2.42,2.33],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 3.83
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [2.53,2.42],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 4.45
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [2.67,2.53],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 6.25
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [2.83,2.67],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 9.02
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.5
}
]
},
{
"resolution_limits": [3.05,2.83],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 11.60
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.5
}
]
}
]
}