Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "227aec9a199aca8d000e9b9991837954",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 94.196,
"b": 94.196,
"c": 33.206,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.580,1.980],
"number_observations": 229840,
"number_observations_unique": 12034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 15018,
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.926
},
{
"type": "R(meas)",
"value": 1.982
},
{
"type": "R(pim)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.900
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [81.580,9.070],
"number_observations": 2150,
"number_observations_unique": 144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 66.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}