Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "33329b11ff6b01f81ecf9bc8fcfd00f5",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.683,
"b": 96.771,
"c": 57.896,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.950,1.880],
"number_observations": 124539,
"number_observations_unique": 19146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.880],
"number_observations": 6774,
"number_observations_unique": 1118,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.160
},
{
"type": "R(meas)",
"value": 1.267
},
{
"type": "R(pim)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [28.950,9.000],
"number_observations": 1258,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 56.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}