Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "079d7a57462fa7a204758b41346ca172",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 89.01,
"b": 144.09,
"c": 116.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations_unique": 43510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.18,2.10],
"number_observations_unique": 4106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.469
},
{
"type": "Redundancy",
"value": 8.00
}
]
},
{
"resolution_limits": [2.26,2.18],
"number_observations_unique": 4284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.42
},
{
"type": "Redundancy",
"value": 10.40
}
]
},
{
"resolution_limits": [2.37,2.26],
"number_observations_unique": 4321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.35
},
{
"type": "Redundancy",
"value": 12.40
}
]
},
{
"resolution_limits": [2.49,2.37],
"number_observations_unique": 4356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "Redundancy",
"value": 14.10
}
]
},
{
"resolution_limits": [2.65,2.49],
"number_observations_unique": 4339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.23
},
{
"type": "Redundancy",
"value": 14.50
}
]
},
{
"resolution_limits": [2.85,2.65],
"number_observations_unique": 4341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Redundancy",
"value": 14.50
}
]
},
{
"resolution_limits": [3.14,2.85],
"number_observations_unique": 4380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Redundancy",
"value": 14.40
}
]
},
{
"resolution_limits": [3.59,3.14],
"number_observations_unique": 4375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Redundancy",
"value": 14.30
}
]
},
{
"resolution_limits": [4.52,3.59],
"number_observations_unique": 4417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "Redundancy",
"value": 14.00
}
]
},
{
"resolution_limits": [50.00,4.52],
"number_observations_unique": 4591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Redundancy",
"value": 13.20
}
]
}
]
}