Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "060f5f635a7c1b66973179cff7414d43",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.17,
"b": 85.56,
"c": 152.40,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.57],
"number_observations_unique": 17809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 5.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.570],
"number_observations_unique": 1755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.770,2.660],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.890,2.770],
"number_observations_unique": 1733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.050,2.890],
"number_observations_unique": 1728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [3.240,3.050],
"number_observations_unique": 1717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [3.490,3.240],
"number_observations_unique": 1719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [3.840,3.490],
"number_observations_unique": 1777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [4.390,3.840],
"number_observations_unique": 1818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [5.530,4.390],
"number_observations_unique": 1864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [50.000,5.530],
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.700
}
]
}
]
}