Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2a4efda0f7c09296b9b413fb4d94511",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.972,
"b": 27.227,
"c": 56.253,
"alpha": 90.00,
"beta": 99.66,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.460,1.150],
"number_observations": 173848,
"number_observations_unique": 32196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 73.400
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 131,
"number_observations_unique": 130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 6.100
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [55.460,6.300],
"number_observations": 1681,
"number_observations_unique": 302,
"quality_factors": [
{
"type": "I/SigI",
"value": 45.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.600
}
]
}
]
}