Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "309e4583fef7b160a35f53a52b4c80a9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.988,
"b": 27.496,
"c": 56.333,
"alpha": 90.00,
"beta": 100.02,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.370,1.430],
"number_observations": 127132,
"number_observations_unique": 23224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.430],
"number_observations": 13891,
"number_observations_unique": 3340,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.650
},
{
"type": "R(meas)",
"value": 1.899
},
{
"type": "R(pim)",
"value": 0.915
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
},
{
"resolution_limits": [40.370,4.520],
"number_observations": 4229,
"number_observations_unique": 789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}