Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eff5d7759dffdf4b0b74af2ad0a53a41",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.289,
"b": 79.614,
"c": 55.080,
"alpha": 90.00,
"beta": 111.83,
"gamma": 90.00
},
"wavelengths": [0.93300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.0,1.800],
"number_observations_unique": 38039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 14.390
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.72
}
]
},
"refln_shells": [
{
"resolution_limits": [1.90,1.80],
"number_observations": 21205,
"number_observations_unique": 5698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.00,1.90],
"number_observations": 17009,
"number_observations_unique": 4565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.50,2.00],
"number_observations": 50544,
"number_observations_unique": 13528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.60,2.50],
"number_observations": 5908,
"number_observations_unique": 1579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.70,2.60],
"number_observations": 5109,
"number_observations_unique": 1360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 17.8
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [3.00,2.70],
"number_observations": 11322,
"number_observations_unique": 3029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 20.9
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [4.00,3.00],
"number_observations": 17611,
"number_observations_unique": 4778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 28.4
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [5.00,4.00],
"number_observations": 6366,
"number_observations_unique": 1717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 33.9
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [6.00,5.00],
"number_observations": 2778,
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 32.8
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [10.00,6.00],
"number_observations": 2986,
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 33.8
},
{
"type": "Completeness",
"value": 98.80
}
]
},
{
"resolution_limits": [20.0,10.00],
"number_observations": 625,
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 34.9
},
{
"type": "Completeness",
"value": 85.20
}
]
}
]
}