Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b3aae221c5c3503f6c0057c0dc9af86",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.432,
"b": 66.665,
"c": 99.370,
"alpha": 90.00,
"beta": 100.77,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.809,2.900],
"number_observations": 82638,
"number_observations_unique": 18602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 9.280
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.442
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.070,2.900],
"number_observations": 12751,
"number_observations_unique": 2791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.811
},
{
"type": "R(meas)",
"value": 0.916
},
{
"type": "I/SigI",
"value": 1.710
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 4.569
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [3.280,3.070],
"number_observations": 13409,
"number_observations_unique": 2846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "R(meas)",
"value": 0.591
},
{
"type": "I/SigI",
"value": 3.150
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.712
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [3.540,3.280],
"number_observations": 11569,
"number_observations_unique": 2646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 5.880
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.372
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.880,3.540],
"number_observations": 10580,
"number_observations_unique": 2428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 9.580
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.357
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [4.330,3.880],
"number_observations": 9897,
"number_observations_unique": 2201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 12.910
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.497
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [5.000,4.330],
"number_observations": 8412,
"number_observations_unique": 1964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 14.710
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.283
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [6.110,5.000],
"number_observations": 7071,
"number_observations_unique": 1657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 14.910
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.267
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [8.570,6.110],
"number_observations": 5807,
"number_observations_unique": 1305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 17.340
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.450
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [48.809,8.570],
"number_observations": 3142,
"number_observations_unique": 764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 20.230
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.113
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}