Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0872dafde6e66da079442878dff7e432",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 77.089,
"b": 101.510,
"c": 126.250,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.110,2.550],
"number_observations": 65649,
"number_observations_unique": 16198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.550],
"number_observations": 9431,
"number_observations_unique": 2337,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.463
},
{
"type": "R(meas)",
"value": 2.816
},
{
"type": "R(pim)",
"value": 1.337
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.386
}
]
},
{
"resolution_limits": [79.110,8.060],
"number_observations": 2110,
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}