Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d8ab692fd6ce9f0cf10580a2f0dd392",
"space_group_name": "P 63",
"unit_cell": {
"a": 122.882,
"b": 122.882,
"c": 90.032,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.810,3.250],
"number_observations": 166319,
"number_observations_unique": 12293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.330,3.250],
"number_observations": 11129,
"number_observations_unique": 887,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.927
},
{
"type": "R(meas)",
"value": 8.264
},
{
"type": "R(pim)",
"value": 2.282
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.175
}
]
},
{
"resolution_limits": [45.810,14.530],
"number_observations": 1614,
"number_observations_unique": 150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 34.800
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}