Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d9db3e617d9836ee3613ebd64a33c17",
"space_group_name": "P 63",
"unit_cell": {
"a": 97.125,
"b": 97.125,
"c": 44.576,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.000,2.000],
"number_observations": 75389,
"number_observations_unique": 16339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.000],
"number_observations_unique": 1624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.747
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.150,2.070],
"number_observations_unique": 1615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.250,2.150],
"number_observations_unique": 1627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.370,2.250],
"number_observations_unique": 1647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations_unique": 1622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.710,2.520],
"number_observations_unique": 1641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.990,2.710],
"number_observations_unique": 1652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.420,2.990],
"number_observations_unique": 1634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [4.310,3.420],
"number_observations_unique": 1646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [90.000,4.310],
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
}
]
}