Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "652d92631ccafb7dc8de34bf064ea2c5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.933,
"b": 86.780,
"c": 35.214,
"alpha": 90.00,
"beta": 90.22,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,2.150],
"number_observations_unique": 20056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.23,2.15],
"number_observations_unique": 2004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 6.70
}
]
},
{
"resolution_limits": [2.32,2.23],
"number_observations_unique": 1966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 7.00
}
]
},
{
"resolution_limits": [2.42,2.32],
"number_observations_unique": 1983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 7.20
}
]
},
{
"resolution_limits": [2.55,2.42],
"number_observations_unique": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [2.71,2.55],
"number_observations_unique": 2015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [2.92,2.71],
"number_observations_unique": 1999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [3.21,2.92],
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [3.68,3.21],
"number_observations_unique": 1977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [4.63,3.68],
"number_observations_unique": 2018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.10
}
]
},
{
"resolution_limits": [90.00,4.63],
"number_observations_unique": 2070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.10
}
]
}
]
}