Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "608d4b1916c71a74c0cd95fedb44bc08",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.517,
"b": 96.681,
"c": 57.863,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.930,1.570],
"number_observations": 118837,
"number_observations_unique": 23314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 72.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 162,
"number_observations_unique": 144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.455
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 9.200
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [28.930,8.600],
"number_observations": 1422,
"number_observations_unique": 230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}