Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f5ba9d452f81f38bcc41a46c73feeb5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.897,
"b": 66.475,
"c": 75.538,
"alpha": 90.00,
"beta": 93.18,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.730],
"number_observations_unique": 35418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "Completeness",
"value": 47.300
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.790,1.760],
"number_observations_unique": 1130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "Completeness",
"value": 57.600
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 1273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 66.500
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [1.860,1.830],
"number_observations_unique": 1472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "Completeness",
"value": 75.300
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [1.900,1.860],
"number_observations_unique": 1576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 81.200
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 1716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 1931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 1924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.110,2.050],
"number_observations_unique": 1961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.180,2.110],
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.260,2.180],
"number_observations_unique": 1942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.350,2.260],
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.450,2.350],
"number_observations_unique": 1946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.580,2.450],
"number_observations_unique": 1958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.750,2.580],
"number_observations_unique": 1951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.960,2.750],
"number_observations_unique": 1967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.260,2.960],
"number_observations_unique": 1947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.730,3.260],
"number_observations_unique": 1965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [4.690,3.730],
"number_observations_unique": 1976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [50.000,4.690],
"number_observations_unique": 1999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
}
]
}