Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "379535de1d83acba2d38cc99518f94c4",
"space_group_name": "P 1",
"unit_cell": {
"a": 44.398,
"b": 54.282,
"c": 91.864,
"alpha": 103.84,
"beta": 98.28,
"gamma": 89.97
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.630],
"number_observations_unique": 99066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 4773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 4931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 4884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 4950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 4973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations_unique": 4876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.880,1.840],
"number_observations_unique": 4968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.930,1.880],
"number_observations_unique": 4996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.990,1.930],
"number_observations_unique": 4951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.050,1.990],
"number_observations_unique": 4961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.130,2.050],
"number_observations_unique": 4997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.210,2.130],
"number_observations_unique": 4975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.310,2.210],
"number_observations_unique": 5029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.430,2.310],
"number_observations_unique": 4996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.590,2.430],
"number_observations_unique": 5037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.790,2.590],
"number_observations_unique": 5004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.070,2.790],
"number_observations_unique": 5051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.510,3.070],
"number_observations_unique": 5058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [4.420,3.510],
"number_observations_unique": 5004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [50.000,4.420],
"number_observations_unique": 4652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}