Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b625077f0d4fc7ac77441ec2d33c21c2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 106.35,
"b": 51.63,
"c": 85.45,
"alpha": 90.00,
"beta": 93.25,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.37,1.800],
"number_observations_unique": 41885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 22.200
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 5939,
"number_observations_unique": 2686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [40.360,8.060],
"number_observations": 1573,
"number_observations_unique": 489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 50.000
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}