Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3788c01baff3822a3a68a81deb069387",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.908,
"b": 112.705,
"c": 62.640,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54190],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.260,1.700],
"number_observations": 181967,
"number_observations_unique": 30939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 2730,
"number_observations_unique": 1067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(meas)",
"value": 0.330
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 64.200
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [66.260,9.000],
"number_observations": 1228,
"number_observations_unique": 262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 48.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}