Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7dbd78905e1e846b27f92c514eddaf68",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 86.9,
"b": 195.7,
"c": 225.0,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98043],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.22,3.240],
"number_observations_unique": 61928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 9.690
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.31
}
]
},
"refln_shells": [
{
"resolution_limits": [3.320,3.240],
"number_observations_unique": 4495,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.390
},
{
"type": "I/SigI",
"value": 0.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.3
}
]
},
{
"resolution_limits": [3.500,3.320],
"number_observations_unique": 8131,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.879
},
{
"type": "I/SigI",
"value": 1.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.0
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations_unique": 16008,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.177
},
{
"type": "I/SigI",
"value": 3.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.1
}
]
},
{
"resolution_limits": [8.000,4.000],
"number_observations_unique": 28905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 14.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.3
}
]
},
{
"resolution_limits": [15.000,8.000],
"number_observations_unique": 3681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 27.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.1
}
]
},
{
"resolution_limits": [49.22,15.000],
"number_observations_unique": 708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 27.210
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 16.5
}
]
}
]
}