Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45ca2c79886bd7e52f6d9c795500f849",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.591,
"b": 53.917,
"c": 54.496,
"alpha": 85.28,
"beta": 71.05,
"gamma": 66.71
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations_unique": 54196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.63,1.60],
"number_observations_unique": 2650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 94.00
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [1.66,1.63],
"number_observations_unique": 2683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 95.70
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [1.69,1.66],
"number_observations_unique": 2721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 95.20
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [1.72,1.69],
"number_observations_unique": 2694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 96.40
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [1.76,1.72],
"number_observations_unique": 2758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 95.60
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [1.80,1.76],
"number_observations_unique": 2764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [1.85,1.80],
"number_observations_unique": 2699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 96.10
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [1.90,1.85],
"number_observations_unique": 2728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 95.70
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [1.95,1.90],
"number_observations_unique": 2758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [2.02,1.95],
"number_observations_unique": 2746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [2.09,2.02],
"number_observations_unique": 2779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.17,2.09],
"number_observations_unique": 2759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.27,2.17],
"number_observations_unique": 2751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.39,2.27],
"number_observations_unique": 2783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.54,2.39],
"number_observations_unique": 2762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [2.74,2.54],
"number_observations_unique": 2782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [3.01,2.74],
"number_observations_unique": 2772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [3.45,3.01],
"number_observations_unique": 2700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 95.70
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [4.34,3.45],
"number_observations_unique": 2454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 85.90
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [50.00,4.34],
"number_observations_unique": 2453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 86.50
},
{
"type": "Redundancy",
"value": 3.20
}
]
}
]
}