Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e5ac53d95011d2d14809aa970755c56",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.722,
"b": 73.460,
"c": 42.923,
"alpha": 90.0,
"beta": 110.3,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.000],
"number_observations": 589969,
"number_observations_unique": 109222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations_unique": 2977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "Completeness",
"value": 48.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [1.040,1.020],
"number_observations_unique": 3821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "Completeness",
"value": 62.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.060,1.040],
"number_observations_unique": 5125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.080,1.060],
"number_observations_unique": 5502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.100,1.080],
"number_observations_unique": 5515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.130,1.100],
"number_observations_unique": 5557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.150,1.130],
"number_observations_unique": 5347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.190,1.150],
"number_observations_unique": 5656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.220,1.190],
"number_observations_unique": 5648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.260,1.220],
"number_observations_unique": 5681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.300,1.260],
"number_observations_unique": 5483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.360,1.300],
"number_observations_unique": 5744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.420,1.360],
"number_observations_unique": 5823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.490,1.420],
"number_observations_unique": 5821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.590,1.490],
"number_observations_unique": 5637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.710,1.590],
"number_observations_unique": 5961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.880,1.710],
"number_observations_unique": 6005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.150,1.880],
"number_observations_unique": 5791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.710,2.150],
"number_observations_unique": 6092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,2.710],
"number_observations_unique": 6036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}