Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "247d0296f021f2c611ebcf855c759406",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.192,
"b": 106.565,
"c": 47.669,
"alpha": 90.00,
"beta": 101.72,
"gamma": 90.00
},
"wavelengths": [0.67019],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.120],
"number_observations_unique": 158174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 14.7
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.140,1.120],
"number_observations_unique": 7142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.160,1.140],
"number_observations_unique": 7265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "Completeness",
"value": 85.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.180,1.160],
"number_observations_unique": 7267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.210,1.180],
"number_observations_unique": 7307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.230,1.210],
"number_observations_unique": 7457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.260,1.230],
"number_observations_unique": 7557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.290,1.260],
"number_observations_unique": 7668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.330,1.290],
"number_observations_unique": 7755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.370,1.330],
"number_observations_unique": 7831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.410,1.370],
"number_observations_unique": 7922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.460,1.410],
"number_observations_unique": 8020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.520,1.460],
"number_observations_unique": 8083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.590,1.520],
"number_observations_unique": 8221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.670,1.590],
"number_observations_unique": 8260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.780,1.670],
"number_observations_unique": 8297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.920,1.780],
"number_observations_unique": 8364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.110,1.920],
"number_observations_unique": 8380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.410,2.110],
"number_observations_unique": 8411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.040,2.410],
"number_observations_unique": 8464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [50.000,3.040],
"number_observations_unique": 8503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}