Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d77f996c176b33a95dfd38bf862bfc6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.608,
"b": 81.881,
"c": 94.534,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.380],
"number_observations_unique": 126318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.380],
"number_observations_unique": 6208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.430,1.400],
"number_observations_unique": 6168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.460,1.430],
"number_observations_unique": 6218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [1.490,1.460],
"number_observations_unique": 6202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.520,1.490],
"number_observations_unique": 6196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.550,1.520],
"number_observations_unique": 6244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.590,1.550],
"number_observations_unique": 6232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.640,1.590],
"number_observations_unique": 6275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.680,1.640],
"number_observations_unique": 6279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.740,1.680],
"number_observations_unique": 6287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.800,1.740],
"number_observations_unique": 6263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.870,1.800],
"number_observations_unique": 6323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.960,1.870],
"number_observations_unique": 6320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.060,1.960],
"number_observations_unique": 6312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [2.190,2.060],
"number_observations_unique": 6369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [2.360,2.190],
"number_observations_unique": 6373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [2.600,2.360],
"number_observations_unique": 6407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
}
]
},
{
"resolution_limits": [2.970,2.600],
"number_observations_unique": 6411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
}
]
},
{
"resolution_limits": [3.750,2.970],
"number_observations_unique": 6495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [50.000,3.750],
"number_observations_unique": 6736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
}
]
}
]
}