Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "487513a0faa52303bad82e008b2baf40",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 85.137,
"b": 85.137,
"c": 116.060,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.600],
"number_observations_unique": 15521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.69,2.60],
"number_observations_unique": 1530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.456
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.80
}
]
},
{
"resolution_limits": [2.80,2.69],
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.70
}
]
},
{
"resolution_limits": [2.93,2.80],
"number_observations_unique": 1543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.80
}
]
},
{
"resolution_limits": [3.08,2.93],
"number_observations_unique": 1525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.80
}
]
},
{
"resolution_limits": [3.28,3.08],
"number_observations_unique": 1539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.90
}
]
},
{
"resolution_limits": [3.53,3.28],
"number_observations_unique": 1535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.90
}
]
},
{
"resolution_limits": [3.88,3.53],
"number_observations_unique": 1555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 9.00
}
]
},
{
"resolution_limits": [4.45,3.88],
"number_observations_unique": 1538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.00
}
]
},
{
"resolution_limits": [5.60,4.45],
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.90
}
]
},
{
"resolution_limits": [50.00,5.60],
"number_observations_unique": 1673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 8.30
}
]
}
]
}