Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "140266d49b508d8e3c0ca29953d70f66",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.798,
"b": 152.740,
"c": 108.589,
"alpha": 90.00,
"beta": 90.72,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.1056,2.145],
"number_observations_unique": 104379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.145],
"number_observations": 19884,
"number_observations_unique": 4726,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.754
},
{
"type": "R(meas)",
"value": 3.130
},
{
"type": "R(pim)",
"value": 1.460
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.343
}
]
},
{
"resolution_limits": [39.100,11.750],
"number_observations": 3188,
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}