Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9305f1c8d2dd4cbc8237f32adb95a5bc",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.173,
"b": 56.163,
"c": 101.514,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.610,1.600],
"number_observations": 238254,
"number_observations_unique": 42001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.600],
"number_observations": 29419,
"number_observations_unique": 6041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.696
},
{
"type": "R(meas)",
"value": 0.780
},
{
"type": "R(pim)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.699
}
]
},
{
"resolution_limits": [21.610,5.060],
"number_observations": 9167,
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 35.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}