Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72fa8b1616f7835bdbe5b6867fa0a890",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 78.392,
"b": 78.392,
"c": 78.392,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.770],
"number_observations": 215847,
"number_observations_unique": 8003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 27
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "R(meas)",
"value": 0.519
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 9.0
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [1.830,1.800],
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.510
},
{
"type": "R(meas)",
"value": 0.521
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.700
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.200
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [1.910,1.870],
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "R(meas)",
"value": 0.504
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.100
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.950,1.910],
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "R(meas)",
"value": 0.483
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.600
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.990,1.950],
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.344
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.040,1.990],
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.100,2.040],
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.160,2.100],
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.230,2.160],
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.310,2.230],
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.400,2.310],
"number_observations_unique": 403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.510,2.400],
"number_observations_unique": 401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.640,2.510],
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.810,2.640],
"number_observations_unique": 390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.030,2.810],
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.330,3.030],
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.810,3.330],
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.800,3.810],
"number_observations_unique": 406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,4.800],
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}