Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d46363547146ac15e78777a5cf8e9a29",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.384,
"b": 52.739,
"c": 44.458,
"alpha": 90.00,
"beta": 102.79,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.840,1.430],
"number_observations": 125208,
"number_observations_unique": 45973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.430],
"number_observations": 3814,
"number_observations_unique": 2137,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.129
},
{
"type": "R(meas)",
"value": 1.505
},
{
"type": "R(pim)",
"value": 0.985
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.282
}
]
},
{
"resolution_limits": [54.840,7.830],
"number_observations": 1005,
"number_observations_unique": 314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 35.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}