Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "637a390035234e222b52d1f1320c1ea9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.91,
"b": 58.12,
"c": 102.40,
"alpha": 90.00,
"beta": 93.04,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.790,1.850],
"number_observations_unique": 55937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 83.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 8450,
"number_observations_unique": 3383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "R(meas)",
"value": 0.527
},
{
"type": "R(pim)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
},
{
"resolution_limits": [56.730,9.050],
"number_observations": 1493,
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}