Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd2a61b9e0ce6fe5e469c5245b59c342",
"space_group_name": "P 63",
"unit_cell": {
"a": 79.224,
"b": 79.224,
"c": 91.008,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.95],
"number_observations_unique": 23337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 7.8
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.98,1.95],
"number_observations_unique": 2048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "Completeness",
"value": 85.4
},
{
"type": "Redundancy",
"value": 2.2
}
]
},
{
"resolution_limits": [2.02,1.98],
"number_observations_unique": 2117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "Completeness",
"value": 93.1
},
{
"type": "Redundancy",
"value": 2.7
}
]
},
{
"resolution_limits": [2.06,2.02],
"number_observations_unique": 2195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "Completeness",
"value": 94.2
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [2.10,2.06],
"number_observations_unique": 2178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 93.6
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [2.15,2.10],
"number_observations_unique": 2179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [2.20,2.15],
"number_observations_unique": 2210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
{
"resolution_limits": [2.25,2.20],
"number_observations_unique": 2159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
{
"resolution_limits": [2.31,2.25],
"number_observations_unique": 2153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 92.7
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [2.38,2.31],
"number_observations_unique": 2194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [2.46,2.38],
"number_observations_unique": 2187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 93.3
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [2.54,2.46],
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.65,2.54],
"number_observations_unique": 2184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 94.1
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [2.77,2.65],
"number_observations_unique": 2158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [2.91,2.77],
"number_observations_unique": 2234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 95.3
},
{
"type": "Redundancy",
"value": 4.0
}
]
},
{
"resolution_limits": [3.10,2.91],
"number_observations_unique": 2253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 4.1
}
]
},
{
"resolution_limits": [3.33,3.10],
"number_observations_unique": 2297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
{
"resolution_limits": [3.67,3.33],
"number_observations_unique": 2325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [4.20,3.67],
"number_observations_unique": 2333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [5.29,4.20],
"number_observations_unique": 2327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
{
"resolution_limits": [50.00,5.29],
"number_observations_unique": 2273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 4.7
}
]
}
]
}