Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "adf47a705ee0b3bd169c089d8a0ea0cd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.82,
"b": 70.46,
"c": 110.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.460,1.700],
"number_observations": 399178,
"number_observations_unique": 51325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 21974,
"number_observations_unique": 2706,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.080
},
{
"type": "R(meas)",
"value": 1.151
},
{
"type": "R(pim)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.393
}
]
},
{
"resolution_limits": [70.460,8.980],
"number_observations": 3216,
"number_observations_unique": 420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}