Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9548a579eef1306b464ad6b4e0e49c0a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.208,
"b": 56.338,
"c": 101.989,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.110,1.970],
"number_observations": 146059,
"number_observations_unique": 22949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 9874,
"number_observations_unique": 1617,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.037
},
{
"type": "R(meas)",
"value": 1.135
},
{
"type": "R(pim)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.594
}
]
},
{
"resolution_limits": [29.110,8.820],
"number_observations": 1813,
"number_observations_unique": 308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 51.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}