Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3eb3423dfde0775ab8da7a0c46b86c41",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.474,
"b": 127.338,
"c": 147.759,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.230,1.450],
"number_observations_unique": 193978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations_unique": 8610,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.047
},
{
"type": "R(meas)",
"value": 2.150
},
{
"type": "R(pim)",
"value": 0.642
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.554
}
]
},
{
"resolution_limits": [48.230,7.940],
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 74.8
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}