Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7fc5117df33da16ebe039e76a73bcc6f",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 51.456,
"b": 71.487,
"c": 119.435,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.350],
"number_observations_unique": 9519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.43,2.35],
"number_observations_unique": 925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [2.53,2.43],
"number_observations_unique": 943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.70
}
]
},
{
"resolution_limits": [2.65,2.53],
"number_observations_unique": 938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.90
}
]
},
{
"resolution_limits": [2.79,2.65],
"number_observations_unique": 940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.00
}
]
},
{
"resolution_limits": [2.96,2.79],
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.10
}
]
},
{
"resolution_limits": [3.19,2.96],
"number_observations_unique": 927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.10
}
]
},
{
"resolution_limits": [3.51,3.19],
"number_observations_unique": 958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.10
}
]
},
{
"resolution_limits": [4.02,3.51],
"number_observations_unique": 960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.10
}
]
},
{
"resolution_limits": [5.06,4.02],
"number_observations_unique": 963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 10.00
}
]
},
{
"resolution_limits": [50.00,5.06],
"number_observations_unique": 1023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 9.50
}
]
}
]
}