Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c06ff6c68af1e7575e9d97dfb5bd71da",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.387,
"b": 56.553,
"c": 101.727,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,2.100],
"number_observations": 124010,
"number_observations_unique": 19322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations": 8473,
"number_observations_unique": 1382,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.001
},
{
"type": "R(meas)",
"value": 1.093
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [29.080,9.380],
"number_observations": 1537,
"number_observations_unique": 259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 66.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}