Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ea5f6609349ee87734424fb55496700",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 33.636,
"b": 68.025,
"c": 116.972,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.12],
"number_observations_unique": 14681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.12],
"number_observations_unique": 715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.624
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.200,2.160],
"number_observations_unique": 739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.240,2.200],
"number_observations_unique": 746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.280,2.240],
"number_observations_unique": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.330,2.280],
"number_observations_unique": 734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.390,2.330],
"number_observations_unique": 740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.450,2.390],
"number_observations_unique": 735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.510,2.450],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.590,2.510],
"number_observations_unique": 741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.670,2.590],
"number_observations_unique": 724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.770,2.670],
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.880,2.770],
"number_observations_unique": 720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.010,2.880],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.170,3.010],
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.370,3.170],
"number_observations_unique": 750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.620,3.370],
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.990,3.620],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [4.570,3.990],
"number_observations_unique": 724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [5.750,4.570],
"number_observations_unique": 735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [50.000,5.750],
"number_observations_unique": 782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 4.700
}
]
}
]
}