Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23ef04a9962dca955c40a1028e47a9d5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.190,
"b": 73.182,
"c": 52.406,
"alpha": 90.00,
"beta": 109.01,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.760,1.00],
"number_observations": 1125258,
"number_observations_unique": 163872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.522
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.06,1.00],
"number_observations": 138646,
"number_observations_unique": 28372,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.416
},
{
"type": "R(meas)",
"value": 1.568
},
{
"type": "I/SigI",
"value": 1.05
},
{
"type": "Completeness",
"value": 0.907
},
{
"type": "Redundancy",
"value": 4.89
},
{
"type": "CC(1/2)",
"value": 0.496
}
]
},
{
"resolution_limits": [1.13,1.06],
"number_observations": 177898,
"number_observations_unique": 26558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.768
},
{
"type": "R(meas)",
"value": 0.833
},
{
"type": "I/SigI",
"value": 2.46
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.70
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [1.22,1.13],
"number_observations": 167078,
"number_observations_unique": 24831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.465
},
{
"type": "I/SigI",
"value": 4.59
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.73
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [1.34,1.22],
"number_observations": 156437,
"number_observations_unique": 22767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 7.04
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.49,1.34],
"number_observations": 140816,
"number_observations_unique": 20683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 11.82
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.72,1.49],
"number_observations": 120930,
"number_observations_unique": 18202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 19.95
},
{
"type": "Completeness",
"value": 0.998
},
{
"type": "Redundancy",
"value": 6.64
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.11,1.72],
"number_observations": 102905,
"number_observations_unique": 15454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 32.08
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.66
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.98,2.11],
"number_observations": 78104,
"number_observations_unique": 11968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 40.26
},
{
"type": "Completeness",
"value": 0.997
},
{
"type": "Redundancy",
"value": 6.53
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,2.98],
"number_observations": 42444,
"number_observations_unique": 6693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 44.63
},
{
"type": "Completeness",
"value": 0.988
},
{
"type": "Redundancy",
"value": 6.34
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}