Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c34458007bed563efb1ecb0b48675f2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 61.446,
"b": 42.797,
"c": 56.283,
"alpha": 90.00,
"beta": 101.54,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.480],
"number_observations": 122333,
"number_observations_unique": 22571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.480],
"number_observations_unique": 1503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "Completeness",
"value": 64.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [1.590,1.530],
"number_observations_unique": 2267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [1.670,1.590],
"number_observations_unique": 2322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.336
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations_unique": 2336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [1.860,1.750],
"number_observations_unique": 2378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.010,1.860],
"number_observations_unique": 2273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.210,2.010],
"number_observations_unique": 2344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.530,2.210],
"number_observations_unique": 2362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.190,2.530],
"number_observations_unique": 2377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [30.000,3.190],
"number_observations_unique": 2409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}