Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "64ab58fdd868de97735af8ee0f963a1f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.188,
"b": 157.926,
"c": 64.719,
"alpha": 90.00,
"beta": 110.74,
"gamma": 90.00
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.100],
"number_observations_unique": 68211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 3.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 3445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.515
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [2.180,2.140],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "R(meas)",
"value": 0.460
},
{
"type": "R(pim)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [50,5.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 89.8
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}