Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "860eb1f9992c2211006d5d4a701bbfd5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.194,
"b": 65.268,
"c": 57.323,
"alpha": 90.00,
"beta": 117.94,
"gamma": 90.00
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.150],
"number_observations_unique": 19876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.150],
"number_observations_unique": 1947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [2.320,2.230],
"number_observations_unique": 1979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.420,2.320],
"number_observations_unique": 1982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.550,2.420],
"number_observations_unique": 1994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.710,2.550],
"number_observations_unique": 1967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.920,2.710],
"number_observations_unique": 1990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.210,2.920],
"number_observations_unique": 1977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.670,3.210],
"number_observations_unique": 1999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [4.630,3.670],
"number_observations_unique": 2013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [30.000,4.630],
"number_observations_unique": 2028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.200
}
]
}
]
}