Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "99f200dc2f3720ea44aa625238a969a2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.681,
"b": 45.392,
"c": 83.333,
"alpha": 90.00,
"beta": 102.06,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.470,1.450],
"number_observations": 275599,
"number_observations_unique": 80024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 19695,
"number_observations_unique": 5816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "R(meas)",
"value": 0.876
},
{
"type": "R(pim)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [28.470,6.480],
"number_observations": 3164,
"number_observations_unique": 949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 38.600
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}