Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8213718100326f8cc348f5f9c26c97bf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.025,
"b": 64.512,
"c": 74.501,
"alpha": 90.00,
"beta": 125.85,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.780,1.950],
"number_observations": 135154,
"number_observations_unique": 32249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 6664,
"number_observations_unique": 1617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "R(meas)",
"value": 0.842
},
{
"type": "R(pim)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 69.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [34.780,8.920],
"number_observations": 1332,
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 39.900
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}