Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9e37e938cdf3175314a30106ca79c3a8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 79.719,
"b": 61.700,
"c": 89.648,
"alpha": 90.000,
"beta": 106.444,
"gamma": 90.000
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.39,1.70],
"number_observations_unique": 92071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 4371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.635
},
{
"type": "R(meas)",
"value": 0.711
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 95.0
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [67.44,4.61],
"number_observations_unique": 4786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 36.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}