Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e00650b01adb7df8cbcd3707225c4ff",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.043,
"b": 76.949,
"c": 97.831,
"alpha": 90.00,
"beta": 116.23,
"gamma": 90.00
},
"wavelengths": [1.11587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.710,1.847],
"number_observations_unique": 65459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 15.086
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.92,1.847],
"number_observations_unique": 6497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "Completeness",
"value": 97.50
},
{
"type": "Redundancy",
"value": 2.20
}
]
},
{
"resolution_limits": [1.99,1.92],
"number_observations_unique": 6525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.08,1.99],
"number_observations_unique": 6563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 97.50
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.19,2.08],
"number_observations_unique": 6577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.33,2.19],
"number_observations_unique": 6550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.51,2.33],
"number_observations_unique": 6603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [2.76,2.51],
"number_observations_unique": 6573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [3.16,2.76],
"number_observations_unique": 6541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [3.99,3.16],
"number_observations_unique": 6557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 2.30
}
]
},
{
"resolution_limits": [50.00,3.99],
"number_observations_unique": 6473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Completeness",
"value": 94.10
},
{
"type": "Redundancy",
"value": 2.40
}
]
}
]
}