Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3067558433f01240410e52c0dcc4ec9d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 23.272,
"b": 63.939,
"c": 30.232,
"alpha": 90.00,
"beta": 96.76,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.450,0.940],
"number_observations_unique": 94563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.960,0.940],
"number_observations": 3688,
"number_observations_unique": 1797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "R(meas)",
"value": 0.769
},
{
"type": "R(pim)",
"value": 0.478
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 63.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.592
}
]
},
{
"resolution_limits": [19.450,5.150],
"number_observations": 1208,
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 38.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}