Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5dbf1c832ab75195bf04cf0b0c882beb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.04,
"b": 27.37,
"c": 38.19,
"alpha": 90.00,
"beta": 96.01,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.040,1.280],
"number_observations": 83710,
"number_observations_unique": 29269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.280],
"number_observations": 4474,
"number_observations_unique": 2133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.823
},
{
"type": "R(meas)",
"value": 1.043
},
{
"type": "R(pim)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.432
}
]
},
{
"resolution_limits": [22.040,5.720],
"number_observations": 1130,
"number_observations_unique": 370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 40.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}