Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af3f6368653c07b76a92d3a55d9a5e82",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.038,
"b": 91.308,
"c": 71.893,
"alpha": 90.00,
"beta": 116.78,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.650,1.700],
"number_observations_unique": 88963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 4590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.927
},
{
"type": "R(meas)",
"value": 1.137
},
{
"type": "R(pim)",
"value": 0.648
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.583
}
]
},
{
"resolution_limits": [45.650,9.150],
"number_observations_unique": 565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 18.5
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}