Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "24cda0e6dd2c95382bcdb31756cb2881",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.078,
"b": 112.814,
"c": 84.658,
"alpha": 90.00,
"beta": 96.86,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.400,2.307],
"number_observations_unique": 46076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.310],
"number_observations": 45353,
"number_observations_unique": 6727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.678
},
{
"type": "R(meas)",
"value": 0.735
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [67.400,7.290],
"number_observations": 10583,
"number_observations_unique": 1512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
}
]
}