Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7684cb6507d902b137d0823b011c14e8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.23,
"b": 73.15,
"c": 52.77,
"alpha": 90.000,
"beta": 109.526,
"gamma": 90.000
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.13,0.980],
"number_observations": 667615,
"number_observations_unique": 175062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 5.470
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.814
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,0.980],
"number_observations": 98615,
"number_observations_unique": 27163,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.043
},
{
"type": "R(meas)",
"value": 1.217
},
{
"type": "I/SigI",
"value": 0.750
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 3.630
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [1.110,1.040],
"number_observations": 100175,
"number_observations_unique": 26021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "R(meas)",
"value": 0.569
},
{
"type": "I/SigI",
"value": 1.760
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.850
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [1.200,1.110],
"number_observations": 91566,
"number_observations_unique": 24449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 3.010
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.745
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [1.310,1.200],
"number_observations": 90489,
"number_observations_unique": 22891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 4.080
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.953
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.470,1.310],
"number_observations": 78640,
"number_observations_unique": 20774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 5.680
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.786
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.700,1.470],
"number_observations": 74317,
"number_observations_unique": 18706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 8.580
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.973
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.080,1.700],
"number_observations": 58766,
"number_observations_unique": 15717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 11.250
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.739
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.930,2.080],
"number_observations": 48857,
"number_observations_unique": 12502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.908
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [41.13,2.930],
"number_observations": 26190,
"number_observations_unique": 6839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 14.450
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.830
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
}
]
}