Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7c855cf8c4cd9e54a8b9b27e2371d08",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 212.207,
"b": 299.544,
"c": 574.251,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.85],
"number_observations_unique": 415775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.95,2.85],
"number_observations_unique": 41340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.816
},
{
"type": "Completeness",
"value": 98.60
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [3.07,2.95],
"number_observations_unique": 41643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [3.21,3.07],
"number_observations_unique": 41605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [3.38,3.21],
"number_observations_unique": 41619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [3.59,3.38],
"number_observations_unique": 41620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [3.87,3.59],
"number_observations_unique": 41578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [4.26,3.87],
"number_observations_unique": 41595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [4.87,4.26],
"number_observations_unique": 41515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 98.50
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [6.14,4.87],
"number_observations_unique": 41576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [50.00,6.14],
"number_observations_unique": 41684,
"quality_factors": [
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 5.80
}
]
}
]
}