Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "21625cea3b9145bd4f783280c23a9a76",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 82.085,
"b": 26.613,
"c": 55.452,
"alpha": 90.00,
"beta": 100.13,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.570,1.170],
"number_observations": 91234,
"number_observations_unique": 35680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.190,1.170],
"number_observations": 824,
"number_observations_unique": 753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "R(meas)",
"value": 0.842
},
{
"type": "R(pim)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 39.700
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [54.570,6.410],
"number_observations": 830,
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}