Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95124d8b550f61d669fdea0e331cd6bd",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 146.277,
"b": 146.277,
"c": 143.369,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.800],
"number_observations": 584223,
"number_observations_unique": 38678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.800],
"number_observations_unique": 3763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.632
},
{
"type": "R(pim)",
"value": 0.216
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.053
}
]
},
{
"resolution_limits": [3.020,2.900],
"number_observations_unique": 3808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.599
},
{
"type": "R(meas)",
"value": 0.631
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.110
}
]
},
{
"resolution_limits": [3.150,3.020],
"number_observations_unique": 3812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.578
},
{
"type": "R(meas)",
"value": 0.606
},
{
"type": "R(pim)",
"value": 0.179
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.179
}
]
},
{
"resolution_limits": [3.320,3.150],
"number_observations_unique": 3817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "R(meas)",
"value": 0.554
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.393
}
]
},
{
"resolution_limits": [3.530,3.320],
"number_observations_unique": 3840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "R(meas)",
"value": 0.492
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
},
{
"resolution_limits": [3.800,3.530],
"number_observations_unique": 3827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.900
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [4.180,3.800],
"number_observations_unique": 3867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.000
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [4.780,4.180],
"number_observations_unique": 3878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.020,4.780],
"number_observations_unique": 3938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [30.000,6.020],
"number_observations_unique": 4128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 21.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}