Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e6d4634bf8bae4fbd55ecbc217b8e15",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.340,
"b": 132.813,
"c": 122.819,
"alpha": 90.00,
"beta": 90.12,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.240,2.810],
"number_observations": 353903,
"number_observations_unique": 65900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.880,2.810],
"number_observations": 26408,
"number_observations_unique": 4807,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.813
},
{
"type": "R(meas)",
"value": 2.006
},
{
"type": "R(pim)",
"value": 0.842
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.321
}
]
},
{
"resolution_limits": [71.240,12.570],
"number_observations": 4126,
"number_observations_unique": 776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}