Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3e662ea7dab53e2e09901f4de2373be",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.593,
"b": 42.593,
"c": 216.322,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.460,2.160],
"number_observations": 220890,
"number_observations_unique": 11594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.470
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.160],
"number_observations": 32034,
"number_observations_unique": 1616,
"quality_factors": [
{
"type": "R(merge)",
"value": 9.954
},
{
"type": "R(meas)",
"value": 10.231
},
{
"type": "R(pim)",
"value": 2.320
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.529
}
]
},
{
"resolution_limits": [33.460,6.830],
"number_observations": 6566,
"number_observations_unique": 443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}