Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eeeb6540125653eae5cc391810b0ca31",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.416,
"b": 81.772,
"c": 55.736,
"alpha": 90.00,
"beta": 109.08,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.270,2.960],
"number_observations": 33098,
"number_observations_unique": 9589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.140,2.960],
"number_observations": 5400,
"number_observations_unique": 1533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [45.270,8.890],
"number_observations": 1308,
"number_observations_unique": 373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 30.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}