Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c7b76dee466a765299b53ebfcb6c6217",
"space_group_name": "P 1 2 1",
"unit_cell": {
"a": 117.908,
"b": 49.071,
"c": 169.011,
"alpha": 90.00,
"beta": 92.48,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [117.770,2.000],
"number_observations": 476741,
"number_observations_unique": 131906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 34202,
"number_observations_unique": 9683,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.448
},
{
"type": "R(meas)",
"value": 1.685
},
{
"type": "R(pim)",
"value": 0.849
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.393
}
]
},
{
"resolution_limits": [117.770,8.940],
"number_observations": 5273,
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
}
]
}