Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "956ebdd3faca2039b10bd1f9b40c4a34",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 88.555,
"b": 88.555,
"c": 103.867,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.010],
"number_observations": 330277,
"number_observations_unique": 31867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,2.010],
"number_observations_unique": 1511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.080,2.040],
"number_observations_unique": 1603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.120,2.080],
"number_observations_unique": 1551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [2.170,2.120],
"number_observations_unique": 1590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.210,2.170],
"number_observations_unique": 1583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.260,2.210],
"number_observations_unique": 1567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations_unique": 1570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.380,2.320],
"number_observations_unique": 1564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.450,2.380],
"number_observations_unique": 1585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.530,2.450],
"number_observations_unique": 1610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.620,2.530],
"number_observations_unique": 1551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.730,2.620],
"number_observations_unique": 1597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.850,2.730],
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [3.000,2.850],
"number_observations_unique": 1573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [3.190,3.000],
"number_observations_unique": 1609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [3.440,3.190],
"number_observations_unique": 1596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [3.780,3.440],
"number_observations_unique": 1619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [4.330,3.780],
"number_observations_unique": 1621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [5.450,4.330],
"number_observations_unique": 1652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [50.000,5.450],
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.200
}
]
}
]
}