Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4f0fe32b08d79c5aa6b5e02a24315e3b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 29.223,
"b": 52.157,
"c": 115.268,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97916,0.97949,0.96863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.100],
"number_observations_unique": 19912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.18,2.10],
"number_observations_unique": 1956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [2.26,2.18],
"number_observations_unique": 1998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 5.70
}
]
},
{
"resolution_limits": [2.37,2.26],
"number_observations_unique": 1982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [2.49,2.37],
"number_observations_unique": 1996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 5.90
}
]
},
{
"resolution_limits": [2.65,2.49],
"number_observations_unique": 2003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [2.85,2.65],
"number_observations_unique": 1966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [3.14,2.85],
"number_observations_unique": 2006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [3.59,3.14],
"number_observations_unique": 2000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [4.52,3.59],
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 6.40
}
]
},
{
"resolution_limits": [50.00,4.52],
"number_observations_unique": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 6.20
}
]
}
]
}