Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "537ed7227e3977f5c88066d2a686c7a1",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 59.794,
"b": 59.794,
"c": 156.763,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations_unique": 13682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 18.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.90],
"number_observations_unique": 1257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "Completeness",
"value": 94.90
},
{
"type": "Redundancy",
"value": 13.40
}
]
},
{
"resolution_limits": [2.05,1.97],
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 16.50
}
]
},
{
"resolution_limits": [2.14,2.05],
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 18.00
}
]
},
{
"resolution_limits": [2.25,2.14],
"number_observations_unique": 1332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 18.70
}
]
},
{
"resolution_limits": [2.39,2.25],
"number_observations_unique": 1370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 19.20
}
]
},
{
"resolution_limits": [2.58,2.39],
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 19.90
}
]
},
{
"resolution_limits": [2.84,2.58],
"number_observations_unique": 1370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 20.30
}
]
},
{
"resolution_limits": [3.25,2.84],
"number_observations_unique": 1393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 20.20
}
]
},
{
"resolution_limits": [4.09,3.25],
"number_observations_unique": 1424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 18.70
}
]
},
{
"resolution_limits": [50.00,4.09],
"number_observations_unique": 1488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 94.70
},
{
"type": "Redundancy",
"value": 18.00
}
]
}
]
}