Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9bd86d6b34171a66b7b6070bd22b0e81",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 79.387,
"b": 120.880,
"c": 170.919,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.290,2.092],
"number_observations": 230046,
"number_observations_unique": 48827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 15.25
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.167,2.092],
"number_observations": 24345,
"number_observations_unique": 3426,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.098
},
{
"type": "R(meas)",
"value": 1.184
},
{
"type": "R(pim)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [46.290,8.840],
"number_observations": 4369,
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 42.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}