{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61dcceef3c517624b5120f4e79e084a4",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 66.623,
"b": 66.623,
"c": 89.967,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.83],
"number_observations_unique": 5768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
"refln_shells": [
{
"resolution_limits": [2.90,2.85],
"number_observations_unique": 541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.837
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.9
}
]
},
{
"resolution_limits": [2.95,2.90],
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.0
}
]
},
{
"resolution_limits": [3.01,2.95],
"number_observations_unique": 518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.0
}
]
},
{
"resolution_limits": [3.07,3.01],
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.7
}
]
},
{
"resolution_limits": [3.14,3.07],
"number_observations_unique": 568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.7
}
]
},
{
"resolution_limits": [3.21,3.14],
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.5
}
]
},
{
"resolution_limits": [3.29,3.21],
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [3.38,3.29],
"number_observations_unique": 535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.8
}
]
},
{
"resolution_limits": [3.48,3.38],
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.1
}
]
},
{
"resolution_limits": [3.59,3.48],
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.8
}
]
},
{
"resolution_limits": [3.72,3.59],
"number_observations_unique": 518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.6
}
]
},
{
"resolution_limits": [3.87,3.72],
"number_observations_unique": 530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.4
}
]
},
{
"resolution_limits": [4.04,3.87],
"number_observations_unique": 527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.1
}
]
},
{
"resolution_limits": [4.26,4.04],
"number_observations_unique": 518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
{
"resolution_limits": [4.52,4.26],
"number_observations_unique": 537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [4.87,4.52],
"number_observations_unique": 513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.6
}
]
},
{
"resolution_limits": [5.36,4.87],
"number_observations_unique": 545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [6.14,5.36],
"number_observations_unique": 519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
{
"resolution_limits": [7.73,6.14],
"number_observations_unique": 527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.8
}
]
},
{
"resolution_limits": [50.00,7.73],
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 5.8
}
]
}
]
}
|