Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29ffacf3d9d053242ed9889755644850",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.363,
"b": 90.280,
"c": 167.105,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.940,2.200],
"number_observations_unique": 53038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 8.250
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.478
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.200],
"number_observations_unique": 8439,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.328
},
{
"type": "R(meas)",
"value": 2.625
},
{
"type": "I/SigI",
"value": 0.830
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.571
},
{
"type": "CC(1/2)",
"value": 0.608
}
]
},
{
"resolution_limits": [2.490,2.330],
"number_observations_unique": 7915,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.546
},
{
"type": "R(meas)",
"value": 1.753
},
{
"type": "I/SigI",
"value": 1.220
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.407
},
{
"type": "CC(1/2)",
"value": 0.699
}
]
},
{
"resolution_limits": [2.690,2.490],
"number_observations_unique": 7434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.960
},
{
"type": "R(meas)",
"value": 1.082
},
{
"type": "I/SigI",
"value": 1.920
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.607
},
{
"type": "CC(1/2)",
"value": 0.747
}
]
},
{
"resolution_limits": [2.950,2.690],
"number_observations_unique": 6866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "R(meas)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 3.660
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.534
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [3.290,2.950],
"number_observations_unique": 6249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 6.240
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.419
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.800,3.290],
"number_observations_unique": 5567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 11.640
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.532
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.650,3.800],
"number_observations_unique": 4689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 21.760
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.433
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.540,4.650],
"number_observations_unique": 3688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 24.770
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.345
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [45.940,6.540],
"number_observations_unique": 2190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 38.360
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.107
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}