Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d1a1c4cc01beec2b23d4ceede25d9f1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 73.535,
"b": 80.489,
"c": 104.272,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.760,2.700],
"number_observations": 125291,
"number_observations_unique": 17552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 16748,
"number_observations_unique": 2292,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.002
},
{
"type": "R(meas)",
"value": 1.079
},
{
"type": "R(pim)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [19.760,8.960],
"number_observations": 2967,
"number_observations_unique": 492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}