Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "076cabf2f02ffaff8040f7de41809833",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.14,
"b": 92.18,
"c": 74.46,
"alpha": 90.00,
"beta": 106.41,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.460,1.430],
"number_observations": 654037,
"number_observations_unique": 110412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.430],
"number_observations": 28791,
"number_observations_unique": 5265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.959
},
{
"type": "R(meas)",
"value": 1.060
},
{
"type": "R(pim)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.626
}
]
},
{
"resolution_limits": [56.460,7.820],
"number_observations": 4869,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 36.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}