Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b9a739255b1a9a61520cf7705e3bb11",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 55.620,
"b": 55.671,
"c": 88.700,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.00,1.35],
"number_observations_unique": 30335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 28.9
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 11.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.40,1.35],
"number_observations_unique": 2971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 5.1
}
]
},
{
"resolution_limits": [1.45,1.40],
"number_observations_unique": 3017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [1.52,1.45],
"number_observations_unique": 3000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [1.60,1.52],
"number_observations_unique": 3008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.6
}
]
},
{
"resolution_limits": [1.70,1.60],
"number_observations_unique": 3051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [1.83,1.70],
"number_observations_unique": 3034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [2.02,1.83],
"number_observations_unique": 3075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.8
}
]
},
{
"resolution_limits": [2.31,2.02],
"number_observations_unique": 3067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.9
}
]
},
{
"resolution_limits": [2.91,2.31],
"number_observations_unique": 3065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 5.9
}
]
},
{
"resolution_limits": [30.00,2.91],
"number_observations_unique": 3047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 94.2
},
{
"type": "Redundancy",
"value": 5.8
}
]
}
]
}