Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6c4c464c59400d6067d1062bfce4208",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 65.93,
"b": 89.48,
"c": 100.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.300,1.460],
"number_observations": 574631,
"number_observations_unique": 51301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 23973,
"number_observations_unique": 3486,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.150
},
{
"type": "R(meas)",
"value": 1.244
},
{
"type": "R(pim)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.699
}
]
},
{
"resolution_limits": [31.300,6.530],
"number_observations": 6467,
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 44.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}