Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "63fea885a3383a3170023300a8b19a92",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 66.35,
"b": 90.03,
"c": 100.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.740,1.940],
"number_observations": 270685,
"number_observations_unique": 21735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.940],
"number_observations": 16583,
"number_observations_unique": 1306,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.590
},
{
"type": "R(meas)",
"value": 4.787
},
{
"type": "R(pim)",
"value": 1.343
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 79.600
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.699
}
]
},
{
"resolution_limits": [29.740,8.680],
"number_observations": 2657,
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 37.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}