Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cef45b1524210605901e43de54c88e21",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 137.092,
"b": 239.500,
"c": 278.253,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.200],
"number_observations": 683467,
"number_observations_unique": 145687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [3.260,3.200],
"number_observations_unique": 7103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.590
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.310,3.260],
"number_observations_unique": 7157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.380,3.310],
"number_observations_unique": 7085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.450,3.380],
"number_observations_unique": 7151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.520,3.450],
"number_observations_unique": 7230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [3.600,3.520],
"number_observations_unique": 7197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.690,3.600],
"number_observations_unique": 7235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [3.790,3.690],
"number_observations_unique": 7254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.910,3.790],
"number_observations_unique": 7243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [4.030,3.910],
"number_observations_unique": 7210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [4.180,4.030],
"number_observations_unique": 7314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [4.340,4.180],
"number_observations_unique": 7291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [4.540,4.340],
"number_observations_unique": 7315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [4.780,4.540],
"number_observations_unique": 7295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [5.080,4.780],
"number_observations_unique": 7330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [5.470,5.080],
"number_observations_unique": 7353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [6.020,5.470],
"number_observations_unique": 7357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [6.890,6.020],
"number_observations_unique": 7414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [8.670,6.890],
"number_observations_unique": 7494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [50.000,8.670],
"number_observations_unique": 7659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.400
}
]
}
]
}