Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc6960fd1441b09a1287fa41f0062e06",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 119.294,
"b": 127.300,
"c": 126.799,
"alpha": 90.00,
"beta": 96.45,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations_unique": 86018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.90,2.80],
"number_observations_unique": 7821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "Completeness",
"value": 82.40
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [3.02,2.90],
"number_observations_unique": 8049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "Completeness",
"value": 84.50
},
{
"type": "Redundancy",
"value": 2.50
}
]
},
{
"resolution_limits": [3.15,3.02],
"number_observations_unique": 8127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "Completeness",
"value": 85.40
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [3.32,3.15],
"number_observations_unique": 8209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "Completeness",
"value": 86.10
},
{
"type": "Redundancy",
"value": 2.80
}
]
},
{
"resolution_limits": [3.53,3.32],
"number_observations_unique": 8274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.15
},
{
"type": "Completeness",
"value": 86.70
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [3.80,3.53],
"number_observations_unique": 8348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 87.70
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [4.18,3.80],
"number_observations_unique": 8685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 90.70
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [4.79,4.18],
"number_observations_unique": 9232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 96.50
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [6.03,4.79],
"number_observations_unique": 9562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [50.00,6.03],
"number_observations_unique": 9711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.80
}
]
}
]
}