Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "1d5594e25a72cb35e5bce485df33426b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.543,
"b": 84.512,
"c": 59.175,
"alpha": 90.00,
"beta": 108.02,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.250,1.800],
"number_observations": 319942,
"number_observations_unique": 48030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 14547,
"number_observations_unique": 2795,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.156
},
{
"type": "R(meas)",
"value": 3.515
},
{
"type": "R(pim)",
"value": 1.525
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.372
}
]
},
{
"resolution_limits": [56.250,9.010],
"number_observations": 2510,
"number_observations_unique": 416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}