Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7381396db19fb5514bdfa3f9d4dc1182",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.247,
"b": 60.374,
"c": 56.394,
"alpha": 90.00,
"beta": 98.12,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.370,1.360],
"number_observations": 222202,
"number_observations_unique": 68240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.360],
"number_observations": 14614,
"number_observations_unique": 4897,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.054
},
{
"type": "R(meas)",
"value": 1.286
},
{
"type": "R(pim)",
"value": 0.726
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [60.370,6.080],
"number_observations": 2652,
"number_observations_unique": 834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 29.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}