Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4eb68c10bb53e9d28e6653a6faaea2cb",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 61.020,
"b": 61.020,
"c": 96.481,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,2.000],
"number_observations_unique": 14595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.000],
"number_observations_unique": 1433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.150,2.070],
"number_observations_unique": 1424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.250,2.150],
"number_observations_unique": 1426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.370,2.250],
"number_observations_unique": 1423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations_unique": 1459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.710,2.520],
"number_observations_unique": 1447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.990,2.710],
"number_observations_unique": 1455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.420,2.990],
"number_observations_unique": 1462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [4.310,3.420],
"number_observations_unique": 1488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [40.000,4.310],
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
}
]
}