Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d19ed3e9742fec37d43e4a7d54b85fd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.751,
"b": 64.719,
"c": 74.348,
"alpha": 90.00,
"beta": 125.97,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.710,2.010],
"number_observations": 124171,
"number_observations_unique": 30161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 9066,
"number_observations_unique": 2219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.742
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [34.710,8.970],
"number_observations": 1294,
"number_observations_unique": 347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}