Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a2dc2d699fa2627535f14df61ba273b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.965,
"b": 32.641,
"c": 72.908,
"alpha": 90.00,
"beta": 90.66,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.760],
"number_observations_unique": 22635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.82,1.76],
"number_observations_unique": 2140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "Completeness",
"value": 94.00
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [1.90,1.82],
"number_observations_unique": 2252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.369
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [1.98,1.90],
"number_observations_unique": 2220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.09,1.98],
"number_observations_unique": 2227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.22,2.09],
"number_observations_unique": 2260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [2.39,2.22],
"number_observations_unique": 2277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 97.20
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.63,2.39],
"number_observations_unique": 2279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [3.01,2.63],
"number_observations_unique": 2288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [3.79,3.01],
"number_observations_unique": 2327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 98.40
},
{
"type": "Redundancy",
"value": 3.20
}
]
},
{
"resolution_limits": [50.00,3.79],
"number_observations_unique": 2365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 96.60
},
{
"type": "Redundancy",
"value": 2.90
}
]
}
]
}