Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2cfc6674eb741037241a20196100927b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.810,
"b": 82.650,
"c": 150.908,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.86],
"number_observations_unique": 81196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 35.1
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.860],
"number_observations_unique": 4055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.968
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [1.930,1.890],
"number_observations_unique": 4072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.828
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.960,1.930],
"number_observations_unique": 4042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.666
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.000,1.960],
"number_observations_unique": 4060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.558
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 4095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 4061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.150,2.090],
"number_observations_unique": 4065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations_unique": 4065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.270,2.210],
"number_observations_unique": 4057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.340,2.270],
"number_observations_unique": 4059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.430,2.340],
"number_observations_unique": 4077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.520,2.430],
"number_observations_unique": 4068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.640,2.520],
"number_observations_unique": 4048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.780,2.640],
"number_observations_unique": 4083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.950,2.780],
"number_observations_unique": 4037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.180,2.950],
"number_observations_unique": 4028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [3.500,3.180],
"number_observations_unique": 4032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [4.010,3.500],
"number_observations_unique": 4029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [5.050,4.010],
"number_observations_unique": 4041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [50.000,5.050],
"number_observations_unique": 4122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
}
]
}