Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4763b441e10bfb05a5b042f77fab2fea",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.871,
"b": 52.939,
"c": 45.526,
"alpha": 90.00,
"beta": 103.05,
"gamma": 90.00
},
"wavelengths": [0.99900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.980,1.700],
"number_observations": 178201,
"number_observations_unique": 28892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 9197,
"number_observations_unique": 1522,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.927
},
{
"type": "R(meas)",
"value": 3.227
},
{
"type": "R(pim)",
"value": 1.336
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.301
}
]
},
{
"resolution_limits": [54.980,9.000],
"number_observations": 1267,
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}