{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc6ffa4be995bf306c91c0324efdb49b",
"space_group_name": "P 32 1 2",
"unit_cell": {
"a": 61.503,
"b": 61.503,
"c": 103.935,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.0,3.050],
"number_observations_unique": 4410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.3
}
]
},
"refln_shells": [
{
"resolution_limits": [3.100,3.050],
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.696
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 8.40
}
]
},
{
"resolution_limits": [3.160,3.100],
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.30
}
]
},
{
"resolution_limits": [3.220,3.160],
"number_observations_unique": 231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.10
}
]
},
{
"resolution_limits": [3.290,3.220],
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.90
}
]
},
{
"resolution_limits": [3.360,3.290],
"number_observations_unique": 221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.40
}
]
},
{
"resolution_limits": [3.430,3.360],
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.70
}
]
},
{
"resolution_limits": [3.520,3.430],
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.10
}
]
},
{
"resolution_limits": [3.620,3.520],
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.00
}
]
},
{
"resolution_limits": [3.720,3.620],
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.00
}
]
},
{
"resolution_limits": [3.840,3.720],
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.90
}
]
},
{
"resolution_limits": [3.980,3.840],
"number_observations_unique": 211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.20
}
]
},
{
"resolution_limits": [4.140,3.980],
"number_observations_unique": 219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.20
}
]
},
{
"resolution_limits": [4.330,4.140],
"number_observations_unique": 221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.80
}
]
},
{
"resolution_limits": [4.550,4.330],
"number_observations_unique": 211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.90
}
]
},
{
"resolution_limits": [4.840,4.550],
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.00
}
]
},
{
"resolution_limits": [5.210,4.840],
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.50
}
]
},
{
"resolution_limits": [5.730,5.210],
"number_observations_unique": 219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.50
}
]
},
{
"resolution_limits": [6.550,5.730],
"number_observations_unique": 221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.20
}
]
},
{
"resolution_limits": [8.220,6.550],
"number_observations_unique": 232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.80
}
]
},
{
"resolution_limits": [30.000,8.220],
"number_observations_unique": 246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 10.50
}
]
}
]
}
|