Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c2a23e3cec7bbe3e51af97ad2f556175",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 131.583,
"b": 58.861,
"c": 99.767,
"alpha": 90.00,
"beta": 131.13,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.760],
"number_observations_unique": 56871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.760],
"number_observations_unique": 5655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.900,1.820],
"number_observations_unique": 5711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.980,1.900],
"number_observations_unique": 5625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.090,1.980],
"number_observations_unique": 5684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.220,2.090],
"number_observations_unique": 5665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.390,2.220],
"number_observations_unique": 5674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.630,2.390],
"number_observations_unique": 5712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.010,2.630],
"number_observations_unique": 5680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.790,3.010],
"number_observations_unique": 5745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [50.000,3.790],
"number_observations_unique": 5720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}