Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "90ff3165334fb86bad0425a836c21179",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.772,
"b": 114.447,
"c": 120.924,
"alpha": 90.00,
"beta": 100.55,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.440,1.860],
"number_observations": 560340,
"number_observations_unique": 164750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.860],
"number_observations": 42310,
"number_observations_unique": 12062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.836
},
{
"type": "R(meas)",
"value": 0.986
},
{
"type": "R(pim)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [114.440,8.320],
"number_observations": 6736,
"number_observations_unique": 1913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}