Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6fd40736aade0a66e3dde55eb5b11eec",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.769,
"b": 45.487,
"c": 83.076,
"alpha": 90.00,
"beta": 102.33,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.410,2.010],
"number_observations": 97882,
"number_observations_unique": 29870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 6483,
"number_observations_unique": 2123,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.073
},
{
"type": "R(meas)",
"value": 1.301
},
{
"type": "R(pim)",
"value": 0.722
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.453
}
]
},
{
"resolution_limits": [28.410,8.970],
"number_observations": 1221,
"number_observations_unique": 367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}