Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a6ecf4b4a069155685962dc9f624fe2f",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 87.00,
"b": 106.15,
"c": 138.34,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.29,1.70],
"number_observations_unique": 70548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 19.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 25.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [67.29,9.00],
"number_observations_unique": 548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 70.4
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 23.9
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 3690,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.015
},
{
"type": "R(meas)",
"value": 3.129
},
{
"type": "R(pim)",
"value": 0.832
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.4
},
{
"type": "CC(1/2)",
"value": 0.587
}
]
}
]
}