Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "904f3eb9ec7707286fbe3913063dfa18",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 70.450,
"b": 90.890,
"c": 97.421,
"alpha": 90.00,
"beta": 95.43,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.920,2.150],
"number_observations": 320687,
"number_observations_unique": 66426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.150],
"number_observations": 18143,
"number_observations_unique": 4370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "R(meas)",
"value": 0.462
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [28.920,10.080],
"number_observations": 2953,
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}