Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "21c7d1b7d8e04d1b1e34727b18a78dc2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.27,
"b": 51.24,
"c": 79.16,
"alpha": 90.00,
"beta": 92.35,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.2330,1.800],
"number_observations_unique": 32441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "R(meas)",
"value": 0.530
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 13831,
"number_observations_unique": 1900,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.807
},
{
"type": "R(meas)",
"value": 3.015
},
{
"type": "R(pim)",
"value": 1.099
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.446
}
]
},
{
"resolution_limits": [44.230,9.000],
"number_observations": 1480,
"number_observations_unique": 287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.259
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
}
]
}