Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a482a2b8afecfdd38ead6137780718b4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.404,
"b": 64.283,
"c": 74.796,
"alpha": 90.00,
"beta": 125.91,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.740,1.860],
"number_observations": 150036,
"number_observations_unique": 37085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.860],
"number_observations": 8998,
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.797
},
{
"type": "R(meas)",
"value": 0.923
},
{
"type": "R(pim)",
"value": 0.458
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [34.740,8.940],
"number_observations": 1263,
"number_observations_unique": 348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 40.000
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}