Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6f4c9cd9288ac0bdd90682cd325a4e0",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 93.185,
"b": 93.185,
"c": 151.092,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,2.100],
"number_observations": 277140,
"number_observations_unique": 44827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 2213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 2210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 2215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 2193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 2203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 2209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 2204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 2227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 2221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 2240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 2227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 2206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 2250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 2228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 2262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 2254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations_unique": 2268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations_unique": 2287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [5.700,4.520],
"number_observations_unique": 2311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [100.000,5.700],
"number_observations_unique": 2399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.600
}
]
}
]
}