Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1fc8ed09c8fb19038a4d391ff863d42",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 40.472,
"b": 81.851,
"c": 233.570,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.930,1.800],
"number_observations": 181740,
"number_observations_unique": 36488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 11212,
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.870
},
{
"type": "R(meas)",
"value": 0.972
},
{
"type": "R(pim)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [40.930,9.000],
"number_observations": 1524,
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}