Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "659a0f4b3a7755348a747869e45471a2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.84,
"b": 53.00,
"c": 44.34,
"alpha": 90.0,
"beta": 103.0,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.970,2.070],
"number_observations": 50900,
"number_observations_unique": 15618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.070],
"number_observations": 3351,
"number_observations_unique": 1114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "R(meas)",
"value": 0.927
},
{
"type": "R(pim)",
"value": 0.515
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.585
}
]
},
{
"resolution_limits": [54.970,9.260],
"number_observations": 631,
"number_observations_unique": 191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}