Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c08eaa1a0772ded8c0ebc606c77c87b3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.11,
"b": 65.58,
"c": 57.92,
"alpha": 90.00,
"beta": 95.09,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations_unique": 19840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.100],
"number_observations_unique": 1931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.260,2.180],
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.370,2.260],
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.490,2.370],
"number_observations_unique": 1989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.650,2.490],
"number_observations_unique": 1967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.850,2.650],
"number_observations_unique": 2009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.140,2.850],
"number_observations_unique": 1972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.590,3.140],
"number_observations_unique": 1994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.520,3.590],
"number_observations_unique": 2030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [50.000,4.520],
"number_observations_unique": 2034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.100
}
]
}
]
}