Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c8f3ed51101e66136d77ab8283a260d2",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 126.475,
"b": 133.493,
"c": 126.400,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [16.19,2.469],
"number_observations_unique": 38006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.3
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.469],
"number_observations_unique": 3541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.528
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.6
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 3511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.3
}
]
},
{
"resolution_limits": [2.810,2.690],
"number_observations_unique": 3571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
}
]
},
{
"resolution_limits": [2.960,2.810],
"number_observations_unique": 3551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 3569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 3576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
}
]
},
{
"resolution_limits": [3.720,3.390],
"number_observations_unique": 3561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
}
]
},
{
"resolution_limits": [4.250,3.720],
"number_observations_unique": 3610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
}
]
},
{
"resolution_limits": [5.330,4.250],
"number_observations_unique": 3647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.3
}
]
},
{
"resolution_limits": [16.19,5.330],
"number_observations_unique": 3732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
}
]
}
]
}