Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2a14af8cd07d6e5a304893905b6f5880",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 89.904,
"b": 89.904,
"c": 164.696,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.952,2.810],
"number_observations_unique": 35878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 4.410
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.935
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
"refln_shells": [
{
"resolution_limits": [2.980,2.810],
"number_observations_unique": 5794,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.068
},
{
"type": "R(meas)",
"value": 1.242
},
{
"type": "I/SigI",
"value": 1.250
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.444
}
]
},
{
"resolution_limits": [3.190,2.980],
"number_observations_unique": 5456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.756
},
{
"type": "R(meas)",
"value": 0.876
},
{
"type": "I/SigI",
"value": 1.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.005
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [3.440,3.190],
"number_observations_unique": 5106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "R(meas)",
"value": 0.594
},
{
"type": "I/SigI",
"value": 2.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.020
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [3.770,3.440],
"number_observations_unique": 4556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 4.330
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.608
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [4.210,3.770],
"number_observations_unique": 4186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 5.080
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [4.860,4.210],
"number_observations_unique": 3747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 7.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.003
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [5.930,4.860],
"number_observations_unique": 3174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 6.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.067
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [8.310,5.930],
"number_observations_unique": 2459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 7.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.065
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [44.952,8.310],
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.946
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}