Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8b0ffcc5a87b80a2b7ae53f43463adb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.318,
"b": 119.687,
"c": 60.906,
"alpha": 90.0,
"beta": 102.2,
"gamma": 90.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.440],
"number_observations": 945941,
"number_observations_unique": 138872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.440],
"number_observations_unique": 13885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.510
},
{
"type": "R(meas)",
"value": 0.552
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [1.550,1.490],
"number_observations_unique": 13821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [1.620,1.550],
"number_observations_unique": 13865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.710,1.620],
"number_observations_unique": 13880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.810,1.710],
"number_observations_unique": 13835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.950,1.810],
"number_observations_unique": 13899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.150,1.950],
"number_observations_unique": 13911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.460,2.150],
"number_observations_unique": 13864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.100,2.460],
"number_observations_unique": 13946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [50.000,3.100],
"number_observations_unique": 13966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}