Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f37ab166bfb379403587445df7dc6e6",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 86.746,
"b": 86.746,
"c": 146.525,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.600],
"number_observations_unique": 17839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.64,2.60],
"number_observations_unique": 880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.760
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.90
}
]
},
{
"resolution_limits": [2.69,2.64],
"number_observations_unique": 876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.593
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.00
}
]
},
{
"resolution_limits": [2.74,2.69],
"number_observations_unique": 867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.10
}
]
},
{
"resolution_limits": [2.80,2.74],
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.432
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.00
}
]
},
{
"resolution_limits": [2.86,2.80],
"number_observations_unique": 852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.20
}
]
},
{
"resolution_limits": [2.93,2.86],
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.10
}
]
},
{
"resolution_limits": [3.00,2.93],
"number_observations_unique": 871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.20
}
]
},
{
"resolution_limits": [3.08,3.00],
"number_observations_unique": 877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.30
}
]
},
{
"resolution_limits": [3.17,3.08],
"number_observations_unique": 866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.20
}
]
},
{
"resolution_limits": [3.27,3.17],
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.10
}
]
},
{
"resolution_limits": [3.39,3.27],
"number_observations_unique": 883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.10
}
]
},
{
"resolution_limits": [3.52,3.39],
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.10
}
]
},
{
"resolution_limits": [3.68,3.52],
"number_observations_unique": 884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.00
}
]
},
{
"resolution_limits": [3.88,3.68],
"number_observations_unique": 898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.90
}
]
},
{
"resolution_limits": [4.12,3.88],
"number_observations_unique": 892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.80
}
]
},
{
"resolution_limits": [4.43,4.12],
"number_observations_unique": 896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.70
}
]
},
{
"resolution_limits": [4.87,4.43],
"number_observations_unique": 908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.40
}
]
},
{
"resolution_limits": [5.57,4.87],
"number_observations_unique": 916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [6.96,5.57],
"number_observations_unique": 929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 12.90
}
]
},
{
"resolution_limits": [20.00,6.96],
"number_observations_unique": 1008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 12.80
}
]
}
]
}