Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23e115c98f5a6d4ab891c427f17ea308",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.22,
"b": 51.31,
"c": 78.94,
"alpha": 90.00,
"beta": 92.12,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.190,1.600],
"number_observations": 313675,
"number_observations_unique": 45536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 14181,
"number_observations_unique": 2096,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.492
},
{
"type": "R(meas)",
"value": 1.610
},
{
"type": "R(pim)",
"value": 0.597
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.460
}
]
},
{
"resolution_limits": [44.190,8.760],
"number_observations": 1881,
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 36.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}