{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "814c3615420afedbf0dd57ec27c461b0",
"space_group_name": "P 1",
"unit_cell": {
"a": 46.852,
"b": 49.084,
"c": 85.195,
"alpha": 85.95,
"beta": 74.31,
"gamma": 61.80
},
"wavelengths": [0.97849],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.98],
"number_observations_unique": 42483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 24.3
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.01,1.98],
"number_observations_unique": 1896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.51
},
{
"type": "Completeness",
"value": 86.6
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
{
"resolution_limits": [2.05,2.01],
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "Completeness",
"value": 91.9
},
{
"type": "Redundancy",
"value": 2.7
}
]
},
{
"resolution_limits": [2.09,2.05],
"number_observations_unique": 2087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 94.9
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [2.13,2.09],
"number_observations_unique": 2216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [2.18,2.13],
"number_observations_unique": 2087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [2.23,2.18],
"number_observations_unique": 2216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [2.29,2.23],
"number_observations_unique": 2052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 94.6
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [2.35,2.29],
"number_observations_unique": 2167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 94.7
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [2.42,2.35],
"number_observations_unique": 2150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [2.49,2.42],
"number_observations_unique": 2177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [2.58,2.49],
"number_observations_unique": 2188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [2.69,2.58],
"number_observations_unique": 2090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [2.81,2.69],
"number_observations_unique": 2083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 92.9
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [2.96,2.81],
"number_observations_unique": 2179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [3.14,2.96],
"number_observations_unique": 2160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [3.39,3.14],
"number_observations_unique": 2171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [3.73,3.39],
"number_observations_unique": 2073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "Completeness",
"value": 92.2
},
{
"type": "Redundancy",
"value": 2.9
}
]
},
{
"resolution_limits": [4.26,3.73],
"number_observations_unique": 2176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [5.37,4.26],
"number_observations_unique": 2095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
{
"resolution_limits": [50.00,5.37],
"number_observations_unique": 2100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 3.1
}
]
}
]
}
|