Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6ecec0765714c3daa571941fb3ecc9d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 81.185,
"b": 92.019,
"c": 98.370,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations_unique": 26067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations_unique": 2566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.726
},
{
"type": "R(meas)",
"value": 0.783
},
{
"type": "R(pim)",
"value": 0.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 2545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.512
},
{
"type": "R(meas)",
"value": 0.553
},
{
"type": "R(pim)",
"value": 0.208
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations_unique": 2563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "R(meas)",
"value": 0.433
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [2.960,2.820],
"number_observations_unique": 2599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 2556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 2603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 2583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.270,3.730],
"number_observations_unique": 2623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.380,4.270],
"number_observations_unique": 2646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [50.000,5.380],
"number_observations_unique": 2783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}