Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb97ff699d39ce1016ee7d603ae611b4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.321,
"b": 62.799,
"c": 74.380,
"alpha": 90.00,
"beta": 126.62,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.960,1.860],
"number_observations": 147865,
"number_observations_unique": 36181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.860],
"number_observations": 8768,
"number_observations_unique": 2215,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.018
},
{
"type": "R(meas)",
"value": 1.175
},
{
"type": "R(pim)",
"value": 0.578
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
},
{
"resolution_limits": [47.960,9.100],
"number_observations": 1206,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 40.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}