Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1e39a9a781c0a568cc8c0f4d311f612",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 66.447,
"b": 66.447,
"c": 145.116,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.050],
"number_observations_unique": 24106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.12,2.05],
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.955
},
{
"type": "Redundancy",
"value": 8.50
}
]
},
{
"resolution_limits": [2.21,2.12],
"number_observations_unique": 2395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "Redundancy",
"value": 9.70
}
]
},
{
"resolution_limits": [2.31,2.21],
"number_observations_unique": 2373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.624
},
{
"type": "Redundancy",
"value": 9.60
}
]
},
{
"resolution_limits": [2.43,2.31],
"number_observations_unique": 2359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [2.58,2.43],
"number_observations_unique": 2382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [2.78,2.58],
"number_observations_unique": 2405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [3.06,2.78],
"number_observations_unique": 2392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [3.50,3.06],
"number_observations_unique": 2443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [4.41,3.50],
"number_observations_unique": 2444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Redundancy",
"value": 9.70
}
]
},
{
"resolution_limits": [30.00,4.41],
"number_observations_unique": 2578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Redundancy",
"value": 9.50
}
]
}
]
}