Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c3e56060e1b2c68cc01e9af2cfca3d7",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.32,
"b": 67.32,
"c": 165.51,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.740,1.700],
"number_observations": 230748,
"number_observations_unique": 25323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 12110,
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.587
},
{
"type": "R(meas)",
"value": 2.735
},
{
"type": "R(pim)",
"value": 0.877
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.442
}
]
},
{
"resolution_limits": [33.740,9.000],
"number_observations": 1606,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}