Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e00bdf6109c1d95b8a15bfad766fa1fe",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 66.181,
"b": 133.648,
"c": 112.947,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations_unique": 38372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.96,1.90],
"number_observations_unique": 2945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "Completeness",
"value": 89.80
},
{
"type": "Redundancy",
"value": 2.10
}
]
},
{
"resolution_limits": [2.02,1.96],
"number_observations_unique": 3200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 2.90
}
]
},
{
"resolution_limits": [2.09,2.02],
"number_observations_unique": 3215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.17,2.09],
"number_observations_unique": 3186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.27,2.17],
"number_observations_unique": 3203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.18
},
{
"type": "Completeness",
"value": 97.50
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.39,2.27],
"number_observations_unique": 3179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.54,2.39],
"number_observations_unique": 3181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 96.40
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.74,2.54],
"number_observations_unique": 3179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 95.70
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.02,2.74],
"number_observations_unique": 3170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "Completeness",
"value": 95.30
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.45,3.02],
"number_observations_unique": 3164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 94.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [4.35,3.45],
"number_observations_unique": 3253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.07
},
{
"type": "Completeness",
"value": 96.20
},
{
"type": "Redundancy",
"value": 6.10
}
]
},
{
"resolution_limits": [50.00,4.35],
"number_observations_unique": 3497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 10.20
}
]
}
]
}