Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8b15c2b511f290dbfae645fcb10a4d51",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.588,
"b": 47.937,
"c": 70.844,
"alpha": 90.00,
"beta": 90.82,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.700,1.710],
"number_observations": 224238,
"number_observations_unique": 32591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations_unique": 1627,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.776
},
{
"type": "R(meas)",
"value": 5.164
},
{
"type": "R(pim)",
"value": 1.950
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.456
}
]
},
{
"resolution_limits": [39.700,9.030],
"number_observations_unique": 247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}