Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b13096a2c7fc49c986e20466d4ea7a6d",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 80.9,
"b": 80.9,
"c": 130.3,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.93400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.250],
"number_observations_unique": 22884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.33,2.25],
"number_observations_unique": 1584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "Completeness",
"value": 66.00
}
]
},
{
"resolution_limits": [2.42,2.33],
"number_observations_unique": 2009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "Completeness",
"value": 84.10
}
]
},
{
"resolution_limits": [2.53,2.42],
"number_observations_unique": 2358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 98.10
}
]
},
{
"resolution_limits": [2.67,2.53],
"number_observations_unique": 2345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 98.00
}
]
},
{
"resolution_limits": [2.83,2.67],
"number_observations_unique": 2359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 98.30
}
]
},
{
"resolution_limits": [3.05,2.83],
"number_observations_unique": 2397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 98.70
}
]
},
{
"resolution_limits": [3.36,3.05],
"number_observations_unique": 2420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 98.80
}
]
},
{
"resolution_limits": [3.85,3.36],
"number_observations_unique": 2402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 98.20
}
]
},
{
"resolution_limits": [4.84,3.85],
"number_observations_unique": 2443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [30.00,4.84],
"number_observations_unique": 2567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 98.70
}
]
}
]
}