Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a729377127380d276b9cd7807cc6b71",
"space_group_name": "P 31",
"unit_cell": {
"a": 63.831,
"b": 63.831,
"c": 58.584,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.950],
"number_observations_unique": 19472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.02,1.95],
"number_observations_unique": 1955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.70
}
]
},
{
"resolution_limits": [2.10,2.02],
"number_observations_unique": 1941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [2.20,2.10],
"number_observations_unique": 1939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [2.31,2.20],
"number_observations_unique": 1940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.70
}
]
},
{
"resolution_limits": [2.46,2.31],
"number_observations_unique": 1976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [2.65,2.46],
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [2.91,2.65],
"number_observations_unique": 1964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [3.33,2.91],
"number_observations_unique": 1946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [4.20,3.33],
"number_observations_unique": 1935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.60
}
]
},
{
"resolution_limits": [50.00,4.20],
"number_observations_unique": 1955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 7.20
}
]
}
]
}