Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22ce21be1e97f9ec99181245840ad2b5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 73.853,
"b": 100.210,
"c": 186.112,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.250,2.300],
"number_observations_unique": 61631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.42,2.30],
"number_observations": 34119,
"number_observations_unique": 8548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 96.10
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [2.57,2.42],
"number_observations": 48593,
"number_observations_unique": 8447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 5.80
}
]
},
{
"resolution_limits": [2.75,2.57],
"number_observations": 47042,
"number_observations_unique": 7965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [2.97,2.75],
"number_observations": 45026,
"number_observations_unique": 7476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [3.25,2.97],
"number_observations": 42926,
"number_observations_unique": 6870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [3.64,3.25],
"number_observations": 41114,
"number_observations_unique": 6256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.60
}
]
},
{
"resolution_limits": [4.20,3.64],
"number_observations": 38474,
"number_observations_unique": 5549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [5.14,4.20],
"number_observations": 34965,
"number_observations_unique": 4734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [7.27,5.14],
"number_observations": 28055,
"number_observations_unique": 3737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [40.46,7.27],
"number_observations": 14239,
"number_observations_unique": 2049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 95.20
},
{
"type": "Redundancy",
"value": 6.90
}
]
}
]
}