Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "44c1c2a3216cf968c6af2cbbf4c8c3ed",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 81.529,
"b": 91.249,
"c": 92.017,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.510],
"number_observations_unique": 104812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.510],
"number_observations_unique": 5080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.560,1.540],
"number_observations_unique": 5093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.590,1.560],
"number_observations_unique": 5074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations_unique": 5118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 5144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [1.700,1.660],
"number_observations_unique": 5150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.740,1.700],
"number_observations_unique": 5145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations_unique": 5172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations_unique": 5214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations_unique": 5192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 5241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 5260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 5259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.260,2.140],
"number_observations_unique": 5303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.400,2.260],
"number_observations_unique": 5321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.580,2.400],
"number_observations_unique": 5335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 5386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations_unique": 5425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [4.100,3.250],
"number_observations_unique": 5221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,4.100],
"number_observations_unique": 5679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.000
}
]
}
]
}